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benzyl 4-(aminomethyl)-4-(trifluoromethyl)piperidine-1-carboxylate

benzyl 4-(aminomethyl)-4-(trifluoromethyl)piperidine-1-carboxylate

CAS: 1260778-07-1

Formula: C15H19F3N2O2

SMILES: NCC1(CCN(CC1)C(=O)OCC1=CC=CC=C1)C(F)(F)F

IUPAC: benzyl 4-(aminomethyl)-4-(trifluoromethyl)piperidine-1-carboxylate

InChI: InChI=1S/C15H19F3N2O2/c16-15(17,18)14(11-19)6-8-20(9-7-14)13(21)22-10-12-4-2-1-3-5-12/h1-5H,6-11,19H2

Composition: C (56.96%), H (6.05%), F (18.02%), N (8.86%), O (10.12%)

Molar Mass: 316.324

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 316.139862349
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKKJNWXTHDPWBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.03
Topological Polar Surface Area 55.56
Polarizability 28.88
Ring Count 2
Rotatable Bond Count 5

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