(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine

C12H15N — CID 101038180

IUPAC(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine
SMILESC[C@]1(c2ccccc2)C=NCCC1
InChIInChI=1S/C12H15N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/t12-/m1/s1
InChIKeyWSNLWPRGEGSFDU-GFCCVEGCSA-N
MW173.26 g/mol
LogP2.81
Rot. Bonds1

About (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine

(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine (PubChem CID 101038180) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine
PubChem CID101038180
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine
SMILESC[C@]1(c2ccccc2)C=NCCC1
InChIInChI=1S/C12H15N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/t12-/m1/s1
InChIKeyWSNLWPRGEGSFDU-GFCCVEGCSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine?
The IUPAC name of (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine (CID 101038180) is (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine is C[C@]1(c2ccccc2)C=NCCC1.
What is the InChIKey of (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine?
The InChIKey is WSNLWPRGEGSFDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine?
(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 101038180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).