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

C18H25N3 — CID 65422483

IUPAC1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile
SMILESCN1CCN(C2(C#N)CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3
InChIKeyZAOOUBGRBZFNSX-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.85
Rot. Bonds2

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

1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile (PubChem CID 65422483) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile
PubChem CID65422483
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile
SMILESCN1CCN(C2(C#N)CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3
InChIKeyZAOOUBGRBZFNSX-UHFFFAOYSA-N
XLogP2.85
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Emopamil, (+)-
CID 44398114
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CID 10358719

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile (CID 65422483) is 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile is CN1CCN(C2(C#N)CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile?
The InChIKey is ZAOOUBGRBZFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile?
1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 2.85, 2 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)-4-phenylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65422483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).