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

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

CAS: 336182-21-9

Formula: C17H24BrNO2

SMILES: CC(C)(C)OC(=O)N1CCC(CC2=CC=C(Br)C=C2)CC1

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

InChI: InChI=1S/C17H24BrNO2/c1-17(2,3)21-16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12H2,1-3H3

Composition: C (57.63%), H (6.83%), Br (22.55%), N (3.95%), O (9.03%)

Molar Mass: 354.288

Atom Count: 45

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	353.099042
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SVYWEEHYJRQGAV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.7
Topological Polar Surface Area	29.54
Polarizability	34.41
Ring Count	2
Rotatable Bond Count	4

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