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4-Piperidinebutanol,1-(phenylmethyl)- (318508-02-0)

Identification
Name:4-Piperidinebutanol,1-(phenylmethyl)-
Synonyms:4-(1-benzylpiperidin-4-yl)butan-1-ol
CAS:318508-02-0
Molecular Formula: C16H25 N O
Molecular Weight: 247.38
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
Molecular Structure: (C16H25NO) 4-(1-benzylpiperidin-4-yl)butan-1-ol
Properties
Flash Point: 155.472°C
Boiling Point: 358.467°C at 760 mmHg
Density:1.014g/cm3
Refractive index:1.535
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

Flash Point: 155.472°C
Safety Data
 

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