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

C21H23NO — CID 67583435

IUPAC1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
SMILESCOc1cccc(C=CC2=CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H23NO/c1-23-21-9-5-8-19(16-21)11-10-18-12-14-22(15-13-18)17-20-6-3-2-4-7-20/h2-12,16H,13-15,17H2,1H3
InChIKeyIEDFZQYBPMVNLT-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.54
Rot. Bonds5

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

1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine (PubChem CID 67583435) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
PubChem CID67583435
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
SMILESCOc1cccc(C=CC2=CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H23NO/c1-23-21-9-5-8-19(16-21)11-10-18-12-14-22(15-13-18)17-20-6-3-2-4-7-20/h2-12,16H,13-15,17H2,1H3
InChIKeyIEDFZQYBPMVNLT-UHFFFAOYSA-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-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
bis(1-benzyl-4-[2-(3,4-difluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine);hydrate;dihydrochloride
CID 173303356
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
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
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2598370
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 67065996
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 40501801
1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)-2-methylprop-2-en-1-one
CID 67741897
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine (CID 67583435) is 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine is COc1cccc(C=CC2=CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is IEDFZQYBPMVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-23-21-9-5-8-19(16-21)11-10-18-12-14-22(15-13-18)17-20-6-3-2-4-7-20/h2-12,16H,13-15,17H2,1H3.
What are the key properties of 1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine?
1-benzyl-4-[2-(3-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-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67583435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).