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benzyl 2-(aminomethyl)piperidine-1-carboxylate

benzyl 2-(aminomethyl)piperidine-1-carboxylate

CAS: 811842-18-9

Formula: C14H20N2O2

SMILES: NCC1CCCCN1C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-(aminomethyl)piperidine-1-carboxylate

InChI: InChI=1/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2

Composition: C (67.72%), H (8.12%), N (11.28%), O (12.89%)

Molar Mass: 248.326

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 248.152477892
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WCYNFVPSBDRYJU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.26
Topological Polar Surface Area 55.56
Polarizability 27.75
Ring Count 2
Rotatable Bond Count 4

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