1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile

C14H22N2O — CID 61459107

IUPAC1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCC1CCCCN1C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2O/c1-12-7-3-6-10-16(12)13(17)14(11-15)8-4-2-5-9-14/h12H,2-10H2,1H3
InChIKeyVSYKPZIRYOZZQZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.86
Rot. Bonds1

About 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile

1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 61459107) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID61459107
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCC1CCCCN1C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2O/c1-12-7-3-6-10-16(12)13(17)14(11-15)8-4-2-5-9-14/h12H,2-10H2,1H3
InChIKeyVSYKPZIRYOZZQZ-UHFFFAOYSA-N
XLogP2.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile (CID 61459107) is 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile is CC1CCCCN1C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is VSYKPZIRYOZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-7-3-6-10-16(12)13(17)14(11-15)8-4-2-5-9-14/h12H,2-10H2,1H3.
What are the key properties of 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 61459107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).