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4-{[(piperidin-3-ylmethyl)amino]methyl}benzonitrile hydrochloride

4-{[(piperidin-3-ylmethyl)amino]methyl}benzonitrile hydrochloride

Formula: C14H20ClN3

SMILES: Cl.N#CC1=CC=C(CNCC2CCCNC2)C=C1

IUPAC: 4-({[(piperidin-3-yl)methyl]amino}methyl)benzonitrile hydrochloride

InChI: InChI=1/C14H19N3.ClH/c15-8-12-3-5-13(6-4-12)9-17-11-14-2-1-7-16-10-14;/h3-6,14,16-17H,1-2,7,9-11H2;1H

Composition: C (63.27%), H (7.59%), Cl (13.34%), N (15.81%)

Molar Mass: 265.79

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.1345754
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NPCHBRCQNYTUGH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.9
Topological Polar Surface Area 47.85
Polarizability 27.4
Ring Count 2
Rotatable Bond Count 4

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98% <10 Days C14H20ClN3 Quote Only
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