Name: Name:6-(3-PHENYL-PIPERAZIN-1-YL)-NICOTINIC ACID
Brand: Angene
SKU: AG00GVAY
Rating: 90 (10 reviews)

6-(3-PHENYL-PIPERAZIN-1-YL)-NICOTINIC ACID

CAS No.:

904816-46-2

Catalog Number:

AG00GVAY

Molecular Formula:

C16H17N3O2

Molecular Weight:

283.3251

Catalog Number:

AG00GVAY

Chemical Name:

6-(3-PHENYL-PIPERAZIN-1-YL)-NICOTINIC ACID

CAS Number:

904816-46-2

Molecular Formula:

C16H17N3O2

Molecular Weight:

283.3251

MDL Number:

MFCD06245561

IUPAC Name:

6-(3-phenylpiperazin-1-yl)pyridine-3-carboxylic acid

InChI:

InChI=1S/C16H17N3O2/c20-16(21)13-6-7-15(18-10-13)19-9-8-17-14(11-19)12-4-2-1-3-5-12/h1-7,10,14,17H,8-9,11H2,(H,20,21)

InChI Key:

XQZPMWAWYUHYSA-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(nc1)N1CCNC(C1)c1ccccc1

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.331g/mol

Monoisotopic Mass:

283.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6