1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride

C18H20ClN — CID 54609270

IUPAC1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride
SMILESCN1CCCC(c2ccccc2)=C1c1ccccc1.Cl
InChIInChI=1S/C18H19N.ClH/c1-19-14-8-13-17(15-9-4-2-5-10-15)18(19)16-11-6-3-7-12-16;/h2-7,9-12H,8,13-14H2,1H3;1H
InChIKeyHJKRWUFXDHAFGB-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.70
Rot. Bonds2

About 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride

1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride (PubChem CID 54609270) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride
PubChem CID54609270
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride
SMILESCN1CCCC(c2ccccc2)=C1c1ccccc1.Cl
InChIInChI=1S/C18H19N.ClH/c1-19-14-8-13-17(15-9-4-2-5-10-15)18(19)16-11-6-3-7-12-16;/h2-7,9-12H,8,13-14H2,1H3;1H
InChIKeyHJKRWUFXDHAFGB-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride (CID 54609270) is 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride is CN1CCCC(c2ccccc2)=C1c1ccccc1.Cl.
What is the InChIKey of 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride?
The InChIKey is HJKRWUFXDHAFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-19-14-8-13-17(15-9-4-2-5-10-15)18(19)16-11-6-3-7-12-16;/h2-7,9-12H,8,13-14H2,1H3;1H.
What are the key properties of 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride?
1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 54609270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).