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Basic Information
CAS No.: 101264-48-6
Name: N-BENZYLPIPERIDINE-4-CARBOXAMIDE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 101264-48-6 (N-BENZYLPIPERIDINE-4-CARBOXAMIDE HYDROCHLORIDE)
Formula: C13H18N2O
Molecular Weight: 218.299
Synonyms: Isonipecotamide,N-benzyl- (6CI);N-(Phenylmethyl)piperidine-4-carboxamide;N-Benzylpiperidine-4-carboxamide;
Density: 1.073 g/cm3
Melting Point: 115-117 °C
Boiling Point: 437.2 °C at 760 mmHg
Flash Point: 179.9 °C
PSA: 41.13000
LogP: 2.02210
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Specification

The 4-Piperidinecarboxamide,N-(phenylmethyl)-, with the CAS registry number 101264-48-6, is also known as ZINC02555568. This chemical's molecular formula is C13H18N2O and molecular weight is 218.2948. Its IUPAC name is called N-benzylpiperidine-4-carboxamide.

Physical properties of 4-Piperidinecarboxamide,N-(phenylmethyl)-: (1)ACD/LogP: 0.94; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 63.69 cm3; (11)Molar Volume: 203.2 cm3; (12)Surface Tension: 40.9 dyne/cm; (13)Density: 1.073 g/cm3; (14)Flash Point: 179.9 °C; (15)Enthalpy of Vaporization: 69.37 kJ/mol; (16)Boiling Point: 437.2 °C at 760 mmHg; (17)Vapour Pressure: 7.64E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccccc1)C2CCNCC2
(2)InChI: InChI=1/C13H18N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
(3)InChIKey: KKXCMMIWHOYQCM-UHFFFAOYAV