Name: Name:2-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}pyridine-4-carbonitrile
Brand: Angene
SKU: AG01AUX7
Rating: 90 (10 reviews)

2-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}pyridine-4-carbonitrile

CAS No.:

1864064-37-8

Catalog Number:

AG01AUX7

Molecular Formula:

C19H22N4O2

Molecular Weight:

338.4036

Catalog Number:

AG01AUX7

Chemical Name:

2-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}pyridine-4-carbonitrile

CAS Number:

1864064-37-8

Molecular Formula:

C19H22N4O2

Molecular Weight:

338.4036

MDL Number:

MFCD29041244

IUPAC Name:

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

InChI:

InChI=1S/C19H22N4O2/c1-24-17-3-4-18(25-2)16(12-17)14-22-7-9-23(10-8-22)19-11-15(13-20)5-6-21-19/h3-6,11-12H,7-10,14H2,1-2H3

InChI Key:

VXFMJZDIOLMQTJ-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)CN1CCN(CC1)c1nccc(c1)C#N)OC

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.411g/mol

Monoisotopic Mass:

338.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3