(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine

C12H15N — CID 102451598

IUPAC(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
SMILESC[C@H]1CCCC(c2ccccc2)=N1
InChIInChI=1S/C12H15N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m0/s1
InChIKeyQXSFBHQVTQAPPI-JTQLQIEISA-N
MW173.26 g/mol
LogP3.05
Rot. Bonds1

About (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine

(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine (PubChem CID 102451598) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
PubChem CID102451598
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
SMILESC[C@H]1CCCC(c2ccccc2)=N1
InChIInChI=1S/C12H15N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m0/s1
InChIKeyQXSFBHQVTQAPPI-JTQLQIEISA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine (CID 102451598) is (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine is C[C@H]1CCCC(c2ccccc2)=N1.
What is the InChIKey of (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is QXSFBHQVTQAPPI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine?
(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 173.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 102451598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).