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tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate

tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate

CAS: 158144-79-7

Formula: C17H22N2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C1=CC=CC=C1

IUPAC: tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate

InChI: InChI=1S/C17H22N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3

Composition: C (71.30%), H (7.74%), N (9.78%), O (11.17%)

Molar Mass: 286.375

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.168127956
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QZJPNISMAWIZOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.65
Topological Polar Surface Area 53.33
Polarizability 31.59
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 158144-79-7 $138.24-$620.16$138.24$207.36$620.16
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