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[2-(dimethylamino)ethyl]({1-[(2-methoxyphenyl)methyl]piperidin-3-yl}methyl)amine trihydrochloride

[2-(dimethylamino)ethyl]({1-[(2-methoxyphenyl)methyl]piperidin-3-yl}methyl)amine trihydrochloride

CAS: 1185296-85-8

Formula: C18H34Cl3N3O

SMILES: Cl.Cl.Cl.COC1=C(CN2CCCC(CNCCN(C)C)C2)C=CC=C1

IUPAC: [2-(dimethylamino)ethyl]({1-[(2-methoxyphenyl)methyl]piperidin-3-yl}methyl)amine trihydrochloride

InChI: InChI=1/C18H31N3O.3ClH/c1-20(2)12-10-19-13-16-7-6-11-21(14-16)15-17-8-4-5-9-18(17)22-3;;;/h4-5,8-9,16,19H,6-7,10-15H2,1-3H3;3*1H

Composition: C (52.12%), H (8.26%), Cl (25.64%), N (10.13%), O (3.86%)

Molar Mass: 414.84

Atom Count: 59

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 413.1767458
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VAFRNACQOWJYRP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.96
Topological Polar Surface Area 27.74
Polarizability 36.99
Ring Count 2
Rotatable Bond Count 8

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