benzyl 3-aminopiperidine-1-carboxylate chloride

benzyl 3-aminopiperidine-1-carboxylate chloride

CAS: 711002-74-3

Formula: C13H18ClN2O2

SMILES: [Cl-].NC1CCCN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-aminopiperidine-1-carboxylate chloride

InChI: InChI=1/C13H18N2O2.ClH/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H/p-1

Composition: C (57.88%), H (6.73%), Cl (13.14%), N (10.39%), O (11.86%)

Molar Mass: 269.75

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.1062291
Formal Charge	-1
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ODSBVOIXQVBLEU-UHFFFAOYNA-M
Lipinski's Rule of Five	1
Molar Refractivity	65.66
Topological Polar Surface Area	55.56
Polarizability	25.91
Ring Count	2
Rotatable Bond Count	3

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