Name: Name:1-Piperidinecarboxylic acid, 4-(cyanophenylmethylene)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000DIR
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-(cyanophenylmethylene)-, 1,1-dimethylethyl ester

CAS No.:

1170054-42-8

Catalog Number:

AG000DIR

Molecular Formula:

C18H22N2O2

Molecular Weight:

298.3795

Catalog Number:

AG000DIR

Chemical Name:

1-Piperidinecarboxylic acid, 4-(cyanophenylmethylene)-, 1,1-dimethylethyl ester

CAS Number:

1170054-42-8

Molecular Formula:

C18H22N2O2

Molecular Weight:

298.3795

MDL Number:

MFCD14281947

IUPAC Name:

tert-butyl 4-[cyano(phenyl)methylidene]piperidine-1-carboxylate

InChI:

InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-11-9-15(10-12-20)16(13-19)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3

InChI Key:

MJSPRJGSOLUTIJ-UHFFFAOYSA-N

SMILES:

N#CC(=C1CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1

Complexity:

477

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.386g/mol

Monoisotopic Mass:

298.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9