2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile

C12H22N4 — CID 83021022

IUPAC2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
SMILESCN1CCN(NC2CCCCC2C#N)CC1
InChIInChI=1S/C12H22N4/c1-15-6-8-16(9-7-15)14-12-5-3-2-4-11(12)10-13/h11-12,14H,2-9H2,1H3
InChIKeyLNNMDQCLYKJJRH-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.82
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile

2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 83021022) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
PubChem CID83021022
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
SMILESCN1CCN(NC2CCCCC2C#N)CC1
InChIInChI=1S/C12H22N4/c1-15-6-8-16(9-7-15)14-12-5-3-2-4-11(12)10-13/h11-12,14H,2-9H2,1H3
InChIKeyLNNMDQCLYKJJRH-UHFFFAOYSA-N
XLogP0.82
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
CID 102731566
trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
CID 102731567
2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile
CID 83015033
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 114503438
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
CID 62741172
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile
CID 79101354
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
2-(3-ethylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 65039485
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile (CID 83021022) is 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile is CN1CCN(NC2CCCCC2C#N)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is LNNMDQCLYKJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-6-8-16(9-7-15)14-12-5-3-2-4-11(12)10-13/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile?
2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 222.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 83021022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).