2-(2,6-dimethylpiperidin-1-yl)acetonitrile

C9H16N2 — CID 12765385

IUPAC2-(2,6-dimethylpiperidin-1-yl)acetonitrile
SMILESCC1CCCC(C)N1CC#N
InChIInChI=1S/C9H16N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-5,7H2,1-2H3
InChIKeyNLOSAIIVENGARV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.77
Rot. Bonds1

About 2-(2,6-dimethylpiperidin-1-yl)acetonitrile

2-(2,6-dimethylpiperidin-1-yl)acetonitrile (PubChem CID 12765385) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)acetonitrile
PubChem CID12765385
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)acetonitrile
SMILESCC1CCCC(C)N1CC#N
InChIInChI=1S/C9H16N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-5,7H2,1-2H3
InChIKeyNLOSAIIVENGARV-UHFFFAOYSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethylpiperidin-1-yl)acetonitrile 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 2-(2,6-dimethylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)acetonitrile (CID 12765385) is 2-(2,6-dimethylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)acetonitrile is CC1CCCC(C)N1CC#N.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)acetonitrile?
The InChIKey is NLOSAIIVENGARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)acetonitrile?
2-(2,6-dimethylpiperidin-1-yl)acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 12765385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).