Name: Name:tert-butyl 4-((2-bromophenyl)amino)-4-cyanopiperidine-1-carboxylate
Brand: Angene
SKU: AG01DG0F
Rating: 90 (10 reviews)

tert-butyl 4-((2-bromophenyl)amino)-4-cyanopiperidine-1-carboxylate

CAS No.:

205813-91-8

Catalog Number:

AG01DG0F

Molecular Formula:

C17H22BrN3O2

Molecular Weight:

380.2795

Catalog Number:

AG01DG0F

Chemical Name:

tert-butyl 4-((2-bromophenyl)amino)-4-cyanopiperidine-1-carboxylate

CAS Number:

205813-91-8

Molecular Formula:

C17H22BrN3O2

Molecular Weight:

380.2795

MDL Number:

MFCD31706248

IUPAC Name:

tert-butyl 4-(2-bromoanilino)-4-cyanopiperidine-1-carboxylate

InChI:

InChI=1S/C17H22BrN3O2/c1-16(2,3)23-15(22)21-10-8-17(12-19,9-11-21)20-14-7-5-4-6-13(14)18/h4-7,20H,8-11H2,1-3H3

InChI Key:

IKAXNUWUBDUTOM-UHFFFAOYSA-N

SMILES:

N#CC1(CCN(CC1)C(=O)OC(C)(C)C)Nc1ccccc1Br

Complexity:

472

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

380.286g/mol

Monoisotopic Mass:

379.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6