tert-butyl 3-[(4-fluorophenyl)methyl]-4-oxopiperidine-1-carboxylate

tert-butyl 3-[(4-fluorophenyl)methyl]-4-oxopiperidine-1-carboxylate

CAS: 1260806-47-0

Formula: C17H22FNO3

SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(CC2=CC=C(F)C=C2)C1

IUPAC: tert-butyl 3-[(4-fluorophenyl)methyl]-4-oxopiperidine-1-carboxylate

InChI: InChI=1/C17H22FNO3/c1-17(2,3)22-16(21)19-9-8-15(20)13(11-19)10-12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3

Composition: C (66.43%), H (7.21%), F (6.18%), N (4.56%), O (15.62%)

Molar Mass: 307.365

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	307.158371735
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TXKLNOMSDYWTDW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.65
Topological Polar Surface Area	46.61
Polarizability	31.52
Ring Count	2
Rotatable Bond Count	4

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