Name: Name:1-(4-chloro-2-cyanophenyl)-4-methylpiperidine-4-carboxylic acid
Brand: Angene
SKU: AG01BB5C
Rating: 90 (10 reviews)

1-(4-chloro-2-cyanophenyl)-4-methylpiperidine-4-carboxylic acid

CAS No.:

1271093-64-1

Catalog Number:

AG01BB5C

Molecular Formula:

C14H15ClN2O2

Molecular Weight:

278.7341

Catalog Number:

AG01BB5C

Chemical Name:

1-(4-chloro-2-cyanophenyl)-4-methylpiperidine-4-carboxylic acid

CAS Number:

1271093-64-1

Molecular Formula:

C14H15ClN2O2

Molecular Weight:

278.7341

MDL Number:

MFCD19111209

IUPAC Name:

1-(4-chloro-2-cyanophenyl)-4-methylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C14H15ClN2O2/c1-14(13(18)19)4-6-17(7-5-14)12-3-2-11(15)8-10(12)9-16/h2-3,8H,4-7H2,1H3,(H,18,19)

InChI Key:

QZCCRRUGFGJEHA-UHFFFAOYSA-N

SMILES:

N#Cc1cc(Cl)ccc1N1CCC(CC1)(C)C(=O)O

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.736g/mol

Monoisotopic Mass:

278.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8