3-Piperidinemethanamine,1-(phenylmethyl)-, (3S)- (372963-42-3)

The (S)-(1-Benzylpiperidin-3-yl)methanamine, with CAS registry number 372963-42-3, has the systematic name of 1-[(3S)-1-benzylpiperidin-3-yl]methanamine. Besides this, it is also called 3-piperidinemethanamine, 1-(phenylmethyl)-, (3S)-. And the chemical formula of this chemical is C₁₃H₂₀N₂.

Physical properties of (S)-(1-Benzylpiperidin-3-yl)methanamine: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 64.02 cm³; (15)Molar Volume: 200.5 cm³; (16)Polarizability: 25.37×10^-24cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Enthalpy of Vaporization: 54.34 kJ/mol; (19)Vapour Pressure: 0.00095 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CN2CCC[C@H](C2)CN
(2)InChI: InChI=1/C13H20N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2/t13-/m0/s1
(3)InChIKey: BYNIUBOJBWXZCC-ZDUSSCGKBR
(4)Std. InChI: InChI=1S/C13H20N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2/t13-/m0/s1
(5)Std. InChIKey: BYNIUBOJBWXZCC-ZDUSSCGKSA-N