tert-butyl 4-benzoylpiperidine-1-carboxylate

tert-butyl 4-benzoylpiperidine-1-carboxylate

CAS: 193217-39-9

Formula: C17H23NO3

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

IUPAC: tert-butyl 4-benzoylpiperidine-1-carboxylate

InChI: InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

Composition: C (70.56%), H (8.01%), N (4.84%), O (16.59%)

Molar Mass: 289.375

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.167793605
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ITLCXSHKUNNAHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.89
Topological Polar Surface Area	46.61
Polarizability	31.81
Ring Count	2
Rotatable Bond Count	4

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