2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile

C15H19N3 — CID 175106318

IUPAC2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCN1CCN(c2ccccc2C2CC2C#N)CC1
InChIInChI=1S/C15H19N3/c1-17-6-8-18(9-7-17)15-5-3-2-4-13(15)14-10-12(14)11-16/h2-5,12,14H,6-10H2,1H3
InChIKeyNDUDIWJJHDWZRA-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.07
Rot. Bonds2

About 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile

2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 175106318) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile
PubChem CID175106318
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCN1CCN(c2ccccc2C2CC2C#N)CC1
InChIInChI=1S/C15H19N3/c1-17-6-8-18(9-7-17)15-5-3-2-4-13(15)14-10-12(14)11-16/h2-5,12,14H,6-10H2,1H3
InChIKeyNDUDIWJJHDWZRA-UHFFFAOYSA-N
XLogP2.07
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
CID 23143135
5-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467672
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
3-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfonylprop-2-enenitrile
CID 2741455
1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
CID 155930767
2-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 174711988
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
5-amino-2-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 61283993
2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
CID 117022435
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile (CID 175106318) is 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile is CN1CCN(c2ccccc2C2CC2C#N)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is NDUDIWJJHDWZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-17-6-8-18(9-7-17)15-5-3-2-4-13(15)14-10-12(14)11-16/h2-5,12,14H,6-10H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile?
2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 175106318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).