1-methylpiperidine-3-carbonitrile

C7H12N2 — CID 18941139

IUPAC1-methylpiperidine-3-carbonitrile
SMILESCN1CCCC(C#N)C1
InChIInChI=1S/C7H12N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-4,6H2,1H3
InChIKeyJYOKDJPITDWCEZ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.85
Rot. Bonds

About 1-methylpiperidine-3-carbonitrile

1-methylpiperidine-3-carbonitrile (PubChem CID 18941139) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-methylpiperidine-3-carbonitrile
PubChem CID18941139
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methylpiperidine-3-carbonitrile
SMILESCN1CCCC(C#N)C1
InChIInChI=1S/C7H12N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-4,6H2,1H3
InChIKeyJYOKDJPITDWCEZ-UHFFFAOYSA-N
XLogP0.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-3-carbonitrile?
The IUPAC name of 1-methylpiperidine-3-carbonitrile (CID 18941139) is 1-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-methylpiperidine-3-carbonitrile?
The canonical SMILES for 1-methylpiperidine-3-carbonitrile is CN1CCCC(C#N)C1.
What is the InChIKey of 1-methylpiperidine-3-carbonitrile?
The InChIKey is JYOKDJPITDWCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-4,6H2,1H3.
What are the key properties of 1-methylpiperidine-3-carbonitrile?
1-methylpiperidine-3-carbonitrile has a molecular weight of 124.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 18941139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).