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

C12H15N — CID 90862946

IUPAC6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCc1ccc(C2=NCCCC2)cc1
InChIInChI=1S/C12H15N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8H,2-4,9H2,1H3
InChIKeyYOKJMRHPAXJECS-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.97
Rot. Bonds1

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

6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 90862946) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine
PubChem CID90862946
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCc1ccc(C2=NCCCC2)cc1
InChIInChI=1S/C12H15N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8H,2-4,9H2,1H3
InChIKeyYOKJMRHPAXJECS-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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine (CID 90862946) is 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine is Cc1ccc(C2=NCCCC2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is YOKJMRHPAXJECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8H,2-4,9H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridine?
6-(4-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-(4-methylphenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 90862946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).