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

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

CAS: 669068-74-0

Formula: C16H23BrN2O2

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

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

InChI: InChI=1S/C16H23BrN2O2/c1-15(2,3)21-14(20)19-9-7-16(18,8-10-19)12-5-4-6-13(17)11-12/h4-6,11H,7-10,18H2,1-3H3

Composition: C (54.09%), H (6.53%), Br (22.49%), N (7.89%), O (9.01%)

Molar Mass: 355.276

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	354.094291
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QPLCXRHUMKRDAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.2
Topological Polar Surface Area	55.56
Polarizability	34.18
Ring Count	2
Rotatable Bond Count	3

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