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tert-butyl 4-oxo-3-phenylpiperidine-1-carboxylate

tert-butyl 4-oxo-3-phenylpiperidine-1-carboxylate

CAS: 632352-56-8

Formula: C16H21NO3

SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C1)C1=CC=CC=C1

IUPAC: tert-butyl 4-oxo-3-phenylpiperidine-1-carboxylate

InChI: InChI=1/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3

Composition: C (69.79%), H (7.69%), N (5.09%), O (17.43%)

Molar Mass: 275.348

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 275.15214354
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SIZBVZFDWNCKJM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.83
Topological Polar Surface Area 46.61
Polarizability 29.99
Ring Count 2
Rotatable Bond Count 3

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