tert-butyl (2R,6S)-2,6-dimethyl-4-oxopiperidine-1-carboxylate

tert-butyl (2R,6S)-2,6-dimethyl-4-oxopiperidine-1-carboxylate

CAS: 1005397-64-7

Formula: C12H21NO3

SMILES: C[C@H]1CC(=O)C[C@@H](C)N1C(=O)OC(C)(C)C

IUPAC: tert-butyl (2R,6S)-2,6-dimethyl-4-oxopiperidine-1-carboxylate

InChI: InChI=1S/C12H21NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	227.15214354
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ADBYGASBXODWTQ-DTORHVGOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61
Topological Polar Surface Area	46.61
Polarizability	24.1
Ring Count	1
Rotatable Bond Count	2

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