1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine

C21H23NO — CID 1376754

IUPAC1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(/C=C/C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H23NO/c1-23-21-11-9-18(10-12-21)7-8-19-13-15-22(16-14-19)17-20-5-3-2-4-6-20/h2-13H,14-17H2,1H3/b8-7+
InChIKeyRGHSPMZTWRXXIM-BQYQJAHWSA-N
MW305.42 g/mol
LogP4.54
Rot. Bonds5

About 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine

1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine (PubChem CID 1376754) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
PubChem CID1376754
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(/C=C/C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H23NO/c1-23-21-11-9-18(10-12-21)7-8-19-13-15-22(16-14-19)17-20-5-3-2-4-6-20/h2-13H,14-17H2,1H3/b8-7+
InChIKeyRGHSPMZTWRXXIM-BQYQJAHWSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 40501801
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
CID 54335100
1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
CID 67582460
bis(1-benzyl-4-[2-(3,4-difluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine);hydrate;dihydrochloride
CID 173303356
4-[2-(4-methoxyphenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 2836402
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 67065996
1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67710346

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine (CID 1376754) is 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine is COc1ccc(/C=C/C2=CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is RGHSPMZTWRXXIM-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H23NO/c1-23-21-11-9-18(10-12-21)7-8-19-13-15-22(16-14-19)17-20-5-3-2-4-6-20/h2-13H,14-17H2,1H3/b8-7+.
What are the key properties of 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 305.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 1376754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).