(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile

C15H21N3 — CID 94265650

IUPAC(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
SMILESCc1ccccc1CN1CCN([C@H](C)C#N)CC1
InChIInChI=1S/C15H21N3/c1-13-5-3-4-6-15(13)12-17-7-9-18(10-8-17)14(2)11-16/h3-6,14H,7-10,12H2,1-2H3/t14-/m1/s1
InChIKeyWLBUDBASFAWXQT-CQSZACIVSA-N
MW243.35 g/mol
LogP2.02
Rot. Bonds3

About (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile

(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile (PubChem CID 94265650) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
PubChem CID94265650
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
SMILESCc1ccccc1CN1CCN([C@H](C)C#N)CC1
InChIInChI=1S/C15H21N3/c1-13-5-3-4-6-15(13)12-17-7-9-18(10-8-17)14(2)11-16/h3-6,14H,7-10,12H2,1-2H3/t14-/m1/s1
InChIKeyWLBUDBASFAWXQT-CQSZACIVSA-N
XLogP2.02
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile?
The IUPAC name of (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile (CID 94265650) is (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile is Cc1ccccc1CN1CCN([C@H](C)C#N)CC1.
What is the InChIKey of (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile?
The InChIKey is WLBUDBASFAWXQT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3/c1-13-5-3-4-6-15(13)12-17-7-9-18(10-8-17)14(2)11-16/h3-6,14H,7-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile?
(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile has a molecular weight of 243.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 94265650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).