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

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

CAS: 1260804-42-9

Formula: C14H17F3N2O2

SMILES: NC1(CCN(CC1)C(=O)OCC1=CC=CC=C1)C(F)(F)F

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

InChI: InChI=1S/C14H17F3N2O2/c15-14(16,17)13(18)6-8-19(9-7-13)12(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10,18H2

Composition: C (55.63%), H (5.67%), F (18.85%), N (9.27%), O (10.58%)

Molar Mass: 302.297

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.124212284
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KHTBPHFAXPTRFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.22
Topological Polar Surface Area 55.56
Polarizability 27.07
Ring Count 2
Rotatable Bond Count 4

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