1-(3-methylcyclohexyl)piperazine-2-carbonitrile

C12H21N3 — CID 79086423

IUPAC1-(3-methylcyclohexyl)piperazine-2-carbonitrile
SMILESCC1CCCC(N2CCNCC2C#N)C1
InChIInChI=1S/C12H21N3/c1-10-3-2-4-11(7-10)15-6-5-14-9-12(15)8-13/h10-12,14H,2-7,9H2,1H3
InChIKeyFQFQBMSQIJVACW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.36
Rot. Bonds1

About 1-(3-methylcyclohexyl)piperazine-2-carbonitrile

1-(3-methylcyclohexyl)piperazine-2-carbonitrile (PubChem CID 79086423) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)piperazine-2-carbonitrile
PubChem CID79086423
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-methylcyclohexyl)piperazine-2-carbonitrile
SMILESCC1CCCC(N2CCNCC2C#N)C1
InChIInChI=1S/C12H21N3/c1-10-3-2-4-11(7-10)15-6-5-14-9-12(15)8-13/h10-12,14H,2-7,9H2,1H3
InChIKeyFQFQBMSQIJVACW-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(3-methylcyclohexyl)piperazine-2-carbonitrile (CID 79086423) is 1-(3-methylcyclohexyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(3-methylcyclohexyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(3-methylcyclohexyl)piperazine-2-carbonitrile is CC1CCCC(N2CCNCC2C#N)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)piperazine-2-carbonitrile?
The InChIKey is FQFQBMSQIJVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-3-2-4-11(7-10)15-6-5-14-9-12(15)8-13/h10-12,14H,2-7,9H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)piperazine-2-carbonitrile?
1-(3-methylcyclohexyl)piperazine-2-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).