1,3-dimethylpiperidine-2-carbonitrile

C8H14N2 — CID 56972747

IUPAC1,3-dimethylpiperidine-2-carbonitrile
SMILESCC1CCCN(C)C1C#N
InChIInChI=1S/C8H14N2/c1-7-4-3-5-10(2)8(7)6-9/h7-8H,3-5H2,1-2H3
InChIKeyKPOSRUGEROSYFR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds

About 1,3-dimethylpiperidine-2-carbonitrile

1,3-dimethylpiperidine-2-carbonitrile (PubChem CID 56972747) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,3-dimethylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name1,3-dimethylpiperidine-2-carbonitrile
PubChem CID56972747
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,3-dimethylpiperidine-2-carbonitrile
SMILESCC1CCCN(C)C1C#N
InChIInChI=1S/C8H14N2/c1-7-4-3-5-10(2)8(7)6-9/h7-8H,3-5H2,1-2H3
InChIKeyKPOSRUGEROSYFR-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethylpiperidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidine-2-carbonitrile?
The IUPAC name of 1,3-dimethylpiperidine-2-carbonitrile (CID 56972747) is 1,3-dimethylpiperidine-2-carbonitrile.
What is the SMILES notation for 1,3-dimethylpiperidine-2-carbonitrile?
The canonical SMILES for 1,3-dimethylpiperidine-2-carbonitrile is CC1CCCN(C)C1C#N.
What is the InChIKey of 1,3-dimethylpiperidine-2-carbonitrile?
The InChIKey is KPOSRUGEROSYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-4-3-5-10(2)8(7)6-9/h7-8H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethylpiperidine-2-carbonitrile?
1,3-dimethylpiperidine-2-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperidine-2-carbonitrile is sourced from PubChem (CID 56972747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).