4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile

C15H20N2 — CID 55040279

IUPAC4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N1CCCC(C)C1C
InChIInChI=1S/C15H20N2/c1-11-5-4-8-17(13(11)3)15-7-6-14(10-16)9-12(15)2/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyHFKNNMJADKJLRG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.49
Rot. Bonds1

About 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile

4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile (PubChem CID 55040279) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile
PubChem CID55040279
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N1CCCC(C)C1C
InChIInChI=1S/C15H20N2/c1-11-5-4-8-17(13(11)3)15-7-6-14(10-16)9-12(15)2/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyHFKNNMJADKJLRG-UHFFFAOYSA-N
XLogP3.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile 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 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile (CID 55040279) is 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile is Cc1cc(C#N)ccc1N1CCCC(C)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile?
The InChIKey is HFKNNMJADKJLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-5-4-8-17(13(11)3)15-7-6-14(10-16)9-12(15)2/h6-7,9,11,13H,4-5,8H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile?
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile is sourced from PubChem (CID 55040279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).