159691-33-5

Basic information

• Product Name: 4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID
• Synonyms: 4-(PIPERIDINOMETHYL)BENZOIC ACID;4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID;AKOS BB-9426;CHEMBRDG-BB 4401226;4-(piperidin-1-ylmethyl)benzoic acid(SALTDATA: 1.3H2O);4-(piperidin-1-ylmethyl)benzoic acid 1.3H2O;4-(1-PiperidinylMethyl)-benzoic acid;4-(1-piperidylmethyl)benzoic acid
• CAS NO: 159691-33-5
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.28
• Mol File: 159691-33-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 355.9 °C at 760 mmHg
• Flash Point: 169.1 °C
• Appearance: /
• Density: 1.164 g/cm³
• Vapor Pressure: 1.11E-05mmHg at 25°C
• Refractive Index: 1.58
• PKA: 4.03±0.10(Predicted)
• CAS DataBase Reference: 4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID(159691-33-5)
• EPA Substance Registry System: 4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID(159691-33-5)

Safety Data

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39
• HazardClass: IRRITANT
• Hazardous Substances Data: 159691-33-5(Hazardous Substances Data)

Usage

General Description

4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID is a chemical compound with the molecular formula C16H19NO2. It is a derivative of benzoic acid and contains a piperidinylmethyl group attached to the benzoic acid molecule. 4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID has potential pharmaceutical applications, particularly in the field of medicinal chemistry. It may be used as a building block in the synthesis of various bioactive compounds, including drugs and pharmacological agents. The piperidinylmethyl group is known for its ability to interact with biological targets, making 4-PIPERIDIN-1-YLMETHYL-BENZOIC ACID a valuable intermediate in the development of new therapeutic compounds. Additionally, its structure and properties make it a subject of interest in organic synthesis and chemical research.

InChI:InChI=1/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)

Upstream product

• 1571-08-0 methyl 4-formylbenzoate 
• 110-89-4 piperidine 
• 1642-81-5 p-(chloromethyl)benzoic acid 

Relevant articles and documents

Combination of 4-anilinoquinazoline, arylurea and tertiary amine moiety to discover novel anticancer agents

In present study, 4-anilinoquinazolines scaffold, arylurea and tertiary amine moiety were combined to design, synthesize gefitinib analogs and discover novel anticancer agents. A series of 4-anilinoquinazoline derivatives (1, 2, 3 and 4) bearing arylurea and tertiary amine moiety at its 6-position were synthesized. Their antiproliferative activities in vitro were evaluated via MTT assay against A431 cell and A549 cell. The SAR of the title compounds was discussed. The compounds 2d, 2i and 2j with potent antiproliferative activities were evaluated their inhibitory activity against EGFR-TK. Compound 2j displayed potent inhibitory activity against EGFR-TK. In addition, compound 2j, at 50 mg/kg, can completely inhibit cancer growth in established nude mouse A549 xenograft model in vivo. These results suggest that the 4-anilinoquinazoline derivatives bearing diarylurea and tertiary amino moiety at its 6-position can serve as anticancer agents and EGFR inhibitors.

Application of N-substituted (aminomethyl)benzoate strategy in design of scutellarein derivatives with improved Caco-2 cell permeability and in vitro antioxidative activity

A series of 4′-N-substituted (aminomethyl)benzoate derivatives of scutellarein were designed and synthesized. Evaluation of their physiochemical properties showed that the designed target compounds 5a-e exhibit higher chemical stability and aqueous solubility than scutellarin and scutellarein. The permeability (Papp AP to BL) of 5c-e in Caco-2 cells were 2.8, 8.1, and 12.6 times higher than that of scutellarin and 1.3, 4.1, and 6.0 times higher than that of scutellarein; especially, 5e had the highest Papp AP to BL value (7.19 ± 0.31 × 10-6 cm/s) and the lowest ER (Papp BL to AP/Papp AP to BL) value of 0.17. In vitro antioxidative evaluation results revealed that 5e could protect against H2O2-induced PC12 cells' oxidative damage by attenuating mitochondrial membrane potential loss and decreasing H2O2-induced reactive oxygen species (ROS) production.