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4-(1-Benzylpiperidin-4-yl)butan-1-ol

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Name

4-(1-Benzylpiperidin-4-yl)butan-1-ol

EINECS N/A
CAS No. 318508-02-0 Density 1.014g/cm3
PSA 23.47000 LogP 2.99910
Solubility N/A Melting Point N/A
Formula C16H25NO Boiling Point 358.467 °C at 760 mmHg
Molecular Weight 247.381 Flash Point 155.472 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 318508-02-0 (4-(1-Benzylpiperidin-4-yl)butan-1-ol) Hazard Symbols N/A
Synonyms

4-(1-Benzylpiperidin-4-yl)butan-1-ol;4-piperidinebutanol, 1-(phenylmethyl)-;

Article Data 4

4-(1-Benzylpiperidin-4-yl)butan-1-ol Specification

The 4-(1-Benzylpiperidin-4-yl)butan-1-ol, with CAS registry number of 318508-02-0, has the systematic name of 4-(1-benzylpiperidin-4-yl)butan-1-ol. And it is also called 4-piperidinebutanol, 1-(phenylmethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 75.919 cm3; (15)Molar Volume: 243.909 cm3; (16)Polarizability: 30.097×10-24cm3; (17)Surface Tension: 40.719 dyne/cm; (18)Enthalpy of Vaporization: 63.727 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: OCCCCC2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C16H25NO/c18-13-5-4-6-15-9-11-17(12-10-15)14-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2
(3)InChIKey: SXNYWACHEZSLBF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H25NO/c18-13-5-4-6-15-9-11-17(12-10-15)14-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2
(5)Std. InChIKey: SXNYWACHEZSLBF-UHFFFAOYSA-N

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