Name: Name:1-Piperidinecarboxylic acid, 4-(3-cyanophenyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG01DTTI
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-(3-cyanophenyl)-, 1,1-dimethylethyl ester

CAS No.:

370864-73-6

Catalog Number:

AG01DTTI

Molecular Formula:

C17H22N2O2

Molecular Weight:

286.3688

Catalog Number:

AG01DTTI

Chemical Name:

1-Piperidinecarboxylic acid, 4-(3-cyanophenyl)-, 1,1-dimethylethyl ester

CAS Number:

370864-73-6

Molecular Formula:

C17H22N2O2

Molecular Weight:

286.3688

MDL Number:

MFCD24469977

IUPAC Name:

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

InChI:

InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-9-7-14(8-10-19)15-6-4-5-13(11-15)12-18/h4-6,11,14H,7-10H2,1-3H3

InChI Key:

SNWFMDUMSYVCMB-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)C1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.375g/mol

Monoisotopic Mass:

286.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1