1-{1'-benzyl-[1,4'-bipiperidin]-4-yl}methanamine trihydrochloride

1-{1'-benzyl-[1,4'-bipiperidin]-4-yl}methanamine trihydrochloride

CAS: 1185295-95-7

Formula: C18H32Cl3N3

SMILES: Cl.Cl.Cl.NCC1CCN(CC1)C1CCN(CC2=CC=CC=C2)CC1

IUPAC: 1-{1'-benzyl-[1,4'-bipiperidin]-4-yl}methanamine trihydrochloride

InChI: InChI=1S/C18H29N3.3ClH/c19-14-16-6-12-21(13-7-16)18-8-10-20(11-9-18)15-17-4-2-1-3-5-17;;;/h1-5,16,18H,6-15,19H2;3*1H

Composition: C (54.48%), H (8.13%), Cl (26.80%), N (10.59%)

Molar Mass: 396.83

Atom Count: 56

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	395.1661811
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GVKCMXYEQYUOSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.25
Topological Polar Surface Area	32.5
Polarizability	35.61
Ring Count	3
Rotatable Bond Count	4

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