2-[(4-aminopiperidin-1-yl)methyl]benzonitrile hydrochloride

2-[(4-aminopiperidin-1-yl)methyl]benzonitrile hydrochloride

Formula: C13H18ClN3

SMILES: Cl.NC1CCN(CC2=CC=CC=C2C#N)CC1

IUPAC: 2-[(4-aminopiperidin-1-yl)methyl]benzonitrile hydrochloride

InChI: InChI=1S/C13H17N3.ClH/c14-9-11-3-1-2-4-12(11)10-16-7-5-13(15)6-8-16;/h1-4,13H,5-8,10,15H2;1H

Composition: C (62.02%), H (7.21%), Cl (14.08%), N (16.69%)

Molar Mass: 251.76

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.1189253
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XDYZKWYNKIQZHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.7
Topological Polar Surface Area	53.05
Polarizability	25.55
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H18ClN3		Quote Only