4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile

C12H17N3 — CID 163949643

IUPAC4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(C2=CC=NCC2)CC1
InChIInChI=1S/C12H17N3/c1-15-8-4-12(10-13,5-9-15)11-2-6-14-7-3-11/h2,6H,3-5,7-9H2,1H3
InChIKeyRYEUWHNGNGVDGY-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.62
Rot. Bonds1

About 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile

4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile (PubChem CID 163949643) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile
PubChem CID163949643
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(C2=CC=NCC2)CC1
InChIInChI=1S/C12H17N3/c1-15-8-4-12(10-13,5-9-15)11-2-6-14-7-3-11/h2,6H,3-5,7-9H2,1H3
InChIKeyRYEUWHNGNGVDGY-UHFFFAOYSA-N
XLogP1.62
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-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 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile (CID 163949643) is 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile is CN1CCC(C#N)(C2=CC=NCC2)CC1.
What is the InChIKey of 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile?
The InChIKey is RYEUWHNGNGVDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-15-8-4-12(10-13,5-9-15)11-2-6-14-7-3-11/h2,6H,3-5,7-9H2,1H3.
What are the key properties of 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile?
4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-4-yl)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 163949643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).