Name: Name:3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile
Brand: Angene
SKU: AG00JDGE
Rating: 90 (10 reviews)

3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

CAS No.:

524926-44-1

Catalog Number:

AG00JDGE

Molecular Formula:

C14H17N3O2

Molecular Weight:

259.3037

Catalog Number:

AG00JDGE

Chemical Name:

3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

CAS Number:

524926-44-1

Molecular Formula:

C14H17N3O2

Molecular Weight:

259.3037

MDL Number:

MFCD02176531

IUPAC Name:

3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

InChI:

InChI=1S/C14H17N3O2/c1-19-13-4-2-12(3-5-13)16-8-10-17(11-9-16)14(18)6-7-15/h2-5H,6,8-11H2,1H3

InChI Key:

YVDKFZIMWQRWNU-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)N1CCN(CC1)C(=O)CC#N

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.309g/mol

Monoisotopic Mass:

259.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2