6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine

C20H23NO — CID 90673727

IUPAC6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(CC2C=C(c3ccccc3)CCN2C)cc1
InChIInChI=1S/C20H23NO/c1-21-13-12-18(17-6-4-3-5-7-17)15-19(21)14-16-8-10-20(22-2)11-9-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyNSTBZBLDOJDDRU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.03
Rot. Bonds4

About 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine

6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 90673727) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID90673727
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(CC2C=C(c3ccccc3)CCN2C)cc1
InChIInChI=1S/C20H23NO/c1-21-13-12-18(17-6-4-3-5-7-17)15-19(21)14-16-8-10-20(22-2)11-9-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyNSTBZBLDOJDDRU-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 90673727) is 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is COc1ccc(CC2C=C(c3ccccc3)CCN2C)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is NSTBZBLDOJDDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-21-13-12-18(17-6-4-3-5-7-17)15-19(21)14-16-8-10-20(22-2)11-9-16/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 293.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 90673727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).