1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile

C15H26N2 — CID 105400836

IUPAC1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1CCC(N2CCC(C)(C#N)CC2)CC1C
InChIInChI=1S/C15H26N2/c1-12-4-5-14(10-13(12)2)17-8-6-15(3,11-16)7-9-17/h12-14H,4-10H2,1-3H3
InChIKeyCMFFPEGFYRIIBH-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.44
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile

1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 105400836) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile
PubChem CID105400836
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1CCC(N2CCC(C)(C#N)CC2)CC1C
InChIInChI=1S/C15H26N2/c1-12-4-5-14(10-13(12)2)17-8-6-15(3,11-16)7-9-17/h12-14H,4-10H2,1-3H3
InChIKeyCMFFPEGFYRIIBH-UHFFFAOYSA-N
XLogP3.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile (CID 105400836) is 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile is CC1CCC(N2CCC(C)(C#N)CC2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is CMFFPEGFYRIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-4-5-14(10-13(12)2)17-8-6-15(3,11-16)7-9-17/h12-14H,4-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile?
1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 105400836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).