({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)(pyridin-3-ylmethyl)amine trihydrochloride

({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)(pyridin-3-ylmethyl)amine trihydrochloride

CAS: 1185303-72-3

Formula: C20H30Cl3N3

SMILES: Cl.Cl.Cl.CC1=C(CN2CCC(CNCC3=CC=CN=C3)CC2)C=CC=C1

IUPAC: ({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)[(pyridin-3-yl)methyl]amine trihydrochloride

InChI: InChI=1S/C20H27N3.3ClH/c1-17-5-2-3-7-20(17)16-23-11-8-18(9-12-23)13-22-15-19-6-4-10-21-14-19;;;/h2-7,10,14,18,22H,8-9,11-13,15-16H2,1H3;3*1H

Composition: C (57.35%), H (7.22%), Cl (25.39%), N (10.03%)

Molar Mass: 418.83

Atom Count: 56

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	417.1505311
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WJPUOHZKWQSPIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.07
Topological Polar Surface Area	28.16
Polarizability	37.91
Ring Count	3
Rotatable Bond Count	6

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