3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine

C12H15N — CID 163701489

IUPAC3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine
SMILESCC1CNC=CC1c1ccccc1
InChIInChI=1S/C12H15N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3
InChIKeyKBJQNBGVQWWJJE-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.52
Rot. Bonds1

About 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine

3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine (PubChem CID 163701489) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine
PubChem CID163701489
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine
SMILESCC1CNC=CC1c1ccccc1
InChIInChI=1S/C12H15N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3
InChIKeyKBJQNBGVQWWJJE-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-3-phenylpyrrolidine
CID 130987644
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
(3S)-3-methyl-2,3-dihydro-1H-pyrrole
CID 154533641
ethane;(2S)-2-phenylaziridine
CID 145185749
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
CID 66220159
(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 102145962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine (CID 163701489) is 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine is CC1CNC=CC1c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine?
The InChIKey is KBJQNBGVQWWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3.
What are the key properties of 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine?
3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine has a molecular weight of 173.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 163701489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).