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1-[(4-methoxyphenyl)methyl]piperidin-4-amine dihydrochloride

1-[(4-methoxyphenyl)methyl]piperidin-4-amine dihydrochloride

CAS: 57645-54-2

Formula: C13H22Cl2N2O

SMILES: Cl.Cl.COC1=CC=C(CN2CCC(N)CC2)C=C1

IUPAC: 1-[(4-methoxyphenyl)methyl]piperidin-4-amine dihydrochloride

InChI: InChI=1S/C13H20N2O.2ClH/c1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;;/h2-5,12H,6-10,14H2,1H3;2*1H

Composition: C (53.25%), H (7.56%), Cl (24.18%), N (9.55%), O (5.46%)

Molar Mass: 293.23

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.1109187
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KKRQIQMBHGWBLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.45
Topological Polar Surface Area 38.49
Polarizability 26.23
Ring Count 2
Rotatable Bond Count 3

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