6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine

C12H15N — CID 68845701

IUPAC6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C12H15N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h4-6,9H,2-3,7-8H2,1H3
InChIKeyBUUFQMSIVSLYGH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.97
Rot. Bonds1

About 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine

6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 68845701) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine
PubChem CID68845701
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C12H15N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h4-6,9H,2-3,7-8H2,1H3
InChIKeyBUUFQMSIVSLYGH-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine 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 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine (CID 68845701) is 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine is Cc1cccc(C2=NCCCC2)c1.
What is the InChIKey of 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is BUUFQMSIVSLYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine?
6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 173.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 68845701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).