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

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

CAS: 1260805-67-1

Formula: C17H22BrNO3

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

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

InChI: InChI=1/C17H22BrNO3/c1-17(2,3)22-16(21)19-8-7-15(20)13(11-19)9-12-5-4-6-14(18)10-12/h4-6,10,13H,7-9,11H2,1-3H3

Composition: C (55.44%), H (6.02%), Br (21.70%), N (3.80%), O (13.03%)

Molar Mass: 368.271

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	367.078307
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UTADSQVKICTQEX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.06
Topological Polar Surface Area	46.61
Polarizability	34.62
Ring Count	2
Rotatable Bond Count	4

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