(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine

C13H20N2 — CID 71198306

IUPAC(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine
SMILESCC1C=CN=C[C@@]1(C)C=C1CCNCC1
InChIInChI=1S/C13H20N2/c1-11-3-6-15-10-13(11,2)9-12-4-7-14-8-5-12/h3,6,9-11,14H,4-5,7-8H2,1-2H3/t11?,13-/m1/s1
InChIKeyOIUFISXOILQWFR-GLGOKHISSA-N
MW204.32 g/mol
LogP2.54
Rot. Bonds1

About (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine

(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine (PubChem CID 71198306) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine.

Molecular Properties

Compound Name(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine
PubChem CID71198306
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine
SMILESCC1C=CN=C[C@@]1(C)C=C1CCNCC1
InChIInChI=1S/C13H20N2/c1-11-3-6-15-10-13(11,2)9-12-4-7-14-8-5-12/h3,6,9-11,14H,4-5,7-8H2,1-2H3/t11?,13-/m1/s1
InChIKeyOIUFISXOILQWFR-GLGOKHISSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine 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 (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine?
The IUPAC name of (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine (CID 71198306) is (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine.
What is the SMILES notation for (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine?
The canonical SMILES for (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine is CC1C=CN=C[C@@]1(C)C=C1CCNCC1.
What is the InChIKey of (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine?
The InChIKey is OIUFISXOILQWFR-GLGOKHISSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-3-6-15-10-13(11,2)9-12-4-7-14-8-5-12/h3,6,9-11,14H,4-5,7-8H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine?
(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine is sourced from PubChem (CID 71198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).