tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate

tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate

CAS: 886362-62-5

Formula: C16H22BrNO2

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

IUPAC: tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate

InChI: InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10H2,1-3H3

Composition: C (56.48%), H (6.52%), Br (23.48%), N (4.12%), O (9.40%)

Molar Mass: 340.261

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	339.083392
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SDAPURUFUOOCTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.1
Topological Polar Surface Area	29.54
Polarizability	32.66
Ring Count	2
Rotatable Bond Count	3

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