6-oxo-3-phenylpiperidine-3-carboxylic acid

6-oxo-3-phenylpiperidine-3-carboxylic acid

CAS: 46475-04-1

Formula: C12H13NO3

SMILES: OC(=O)C1(CCC(=O)NC1)C1=CC=CC=C1

IUPAC: 6-oxo-3-phenylpiperidine-3-carboxylic acid

InChI: InChI=1/C12H13NO3/c14-10-6-7-12(8-13-10,11(15)16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ITWJELJENLIOLJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.54
Topological Polar Surface Area	66.4
Polarizability	22.39
Ring Count	2
Rotatable Bond Count	2

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