2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile

C15H21N3O — CID 82089920

IUPAC2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile
SMILESCOc1ccccc1C(C#N)CN1CCN(C)CC1
InChIInChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)12-13(11-16)14-5-3-4-6-15(14)19-2/h3-6,13H,7-10,12H2,1-2H3
InChIKeyXVBYEVUHNHYAGC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile

2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile (PubChem CID 82089920) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile
PubChem CID82089920
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile
SMILESCOc1ccccc1C(C#N)CN1CCN(C)CC1
InChIInChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)12-13(11-16)14-5-3-4-6-15(14)19-2/h3-6,13H,7-10,12H2,1-2H3
InChIKeyXVBYEVUHNHYAGC-UHFFFAOYSA-N
XLogP1.55
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
CID 82086146
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
CID 82091614
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 16780971
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
CID 115040340
2,3-bis[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]butanedinitrile
CID 68944197
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile (CID 82089920) is 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile is COc1ccccc1C(C#N)CN1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile?
The InChIKey is XVBYEVUHNHYAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)12-13(11-16)14-5-3-4-6-15(14)19-2/h3-6,13H,7-10,12H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile?
2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile has a molecular weight of 259.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 82089920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).