Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products > 72242 > 

72242-03-6

Products Categories

Basic Information
CAS No.: 72242-03-6
Name: 1-1-3-methoxyphenyl cyclohexyl -piperidine
Article Data: 3
Molecular Structure:
Molecular Structure of 72242-03-6 (1-1-3-methoxyphenyl cyclohexyl -piperidine)
Formula: C18H27NO
Molecular Weight: 273.418
Synonyms: 3-MeO-PCP;1-[1-(3-Methoxyphenyl)cyclohexyl]piperidine;N-(1-[3-Methoxyphenyl]cyclohexyl)piperidine;Piperidine, 1-[1-(3-methoxyphenyl)cyclohexyl]-;
Density: 1.035 g/cm3
Boiling Point: 381.307 °C at 760 mmHg
Flash Point: 112.362 °C
PSA: 12.47000
LogP: 4.27840
  • Display:default sort

    New supplier

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Specification

The Piperidine, 1-[1-(3-methoxyphenyl)cyclohexyl]-, with the CAS registry number 72242-03-6, is also known as N-(1-[3-Methoxyphenyl]cyclohexyl)piperidine. This chemical's molecular formula is C18H27NO and molecular weight is 273.41. What's more, its systematic name is 1-[1-(3-Methoxyphenyl)cyclohexyl]piperidine.

Physical properties of Piperidine, 1-[1-(3-methoxyphenyl)cyclohexyl]- are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 2.22; (6)ACD/BCF (pH 7.4): 113.32; (7)ACD/KOC (pH 5.5): 12.84; (8)ACD/KOC (pH 7.4): 655.80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 83.367 cm3; (15)Molar Volume: 264.239 cm3; (16)Polarizability: 33.049×10-24cm3; (17)Surface Tension: 40.51 dyne/cm; (18)Density: 1.035 g/cm3; (19)Flash Point: 112.362 °C; (20)Enthalpy of Vaporization: 62.957 kJ/mol; (21)Boiling Point: 381.307 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc(c1)C3(N2CCCCC2)CCCCC3)C
(2)Std. InChI: InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
(3)Std. InChIKey: BQQSZHHKGPOXLN-UHFFFAOYSA-N