1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile

C12H21N3 — CID 21409958

IUPAC1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCN1CCN(C2(C#N)CCCCC2)CC1
InChIInChI=1S/C12H21N3/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyIGSKSRTXNRBWJT-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.46
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile

1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 21409958) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
PubChem CID21409958
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCN1CCN(C2(C#N)CCCCC2)CC1
InChIInChI=1S/C12H21N3/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyIGSKSRTXNRBWJT-UHFFFAOYSA-N
XLogP1.46
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile (CID 21409958) is 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile is CN1CCN(C2(C#N)CCCCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is IGSKSRTXNRBWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12/h2-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 21409958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).