2-(4-methylpiperazin-1-yl)benzonitrile

C12H15N3 — CID 13048190

IUPAC2-(4-methylpiperazin-1-yl)benzonitrile
SMILESCN1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-9H2,1H3
InChIKeyRTVRHYSRKFDTFA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.31
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)benzonitrile

2-(4-methylpiperazin-1-yl)benzonitrile (PubChem CID 13048190) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)benzonitrile
PubChem CID13048190
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(4-methylpiperazin-1-yl)benzonitrile
SMILESCN1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-9H2,1H3
InChIKeyRTVRHYSRKFDTFA-UHFFFAOYSA-N
XLogP1.31
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenbenzamine
CID 13751
N,N,2-Trimethylaniline
CID 11869
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363
N-(2-Cyanophenyl)piperazine
CID 2735875
p-(Dimethylamino)cinnamonitrile
CID 5374281
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
3-Fluoro-4-piperazin-1-yl-benzonitrile
CID 596113
2-Mepp
CID 91965
2-(Benzylamino)benzonitrile
CID 324787
1-Benzyl-4-phenylpiperazine
CID 511484
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
N-Methyl-N-phenylbenzylamine
CID 69191

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)benzonitrile?
The IUPAC name of 2-(4-methylpiperazin-1-yl)benzonitrile (CID 13048190) is 2-(4-methylpiperazin-1-yl)benzonitrile.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)benzonitrile?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)benzonitrile is CN1CCN(c2ccccc2C#N)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)benzonitrile?
The InChIKey is RTVRHYSRKFDTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)benzonitrile?
2-(4-methylpiperazin-1-yl)benzonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)benzonitrile is sourced from PubChem (CID 13048190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).