tert-butyl 4-{[2-(3-bromophenyl)ethyl]amino}piperidine-1-carboxylate

tert-butyl 4-{[2-(3-bromophenyl)ethyl]amino}piperidine-1-carboxylate

CAS: 887583-95-1

Formula: C18H27BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NCCC1=CC(Br)=CC=C1

IUPAC: tert-butyl 4-{[2-(3-bromophenyl)ethyl]amino}piperidine-1-carboxylate

InChI: InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)21-11-8-16(9-12-21)20-10-7-14-5-4-6-15(19)13-14/h4-6,13,16,20H,7-12H2,1-3H3

Composition: C (56.40%), H (7.10%), Br (20.84%), N (7.31%), O (8.35%)

Molar Mass: 383.33

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	382.125591
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VYSFDVBUAJBGAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.84
Topological Polar Surface Area	41.57
Polarizability	37.77
Ring Count	2
Rotatable Bond Count	6

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