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

C21H23NO — CID 15818890

IUPAC1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
SMILESCOc1cccc(CN2CC=C(/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C21H23NO/c1-23-21-9-5-8-20(16-21)17-22-14-12-19(13-15-22)11-10-18-6-3-2-4-7-18/h2-12,16H,13-15,17H2,1H3/b11-10+
InChIKeyZVYPZCRCFMZFHZ-ZHACJKMWSA-N
MW305.42 g/mol
LogP4.54
Rot. Bonds5

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

1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine (PubChem CID 15818890) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
PubChem CID15818890
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
SMILESCOc1cccc(CN2CC=C(/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C21H23NO/c1-23-21-9-5-8-20(16-21)17-22-14-12-19(13-15-22)11-10-18-6-3-2-4-7-18/h2-12,16H,13-15,17H2,1H3/b11-10+
InChIKeyZVYPZCRCFMZFHZ-ZHACJKMWSA-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

Analyze 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
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
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 40501801
5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
CID 54335100
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2598370
8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 143341296

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine (CID 15818890) is 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine is COc1cccc(CN2CC=C(/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is ZVYPZCRCFMZFHZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H23NO/c1-23-21-9-5-8-20(16-21)17-22-14-12-19(13-15-22)11-10-18-6-3-2-4-7-18/h2-12,16H,13-15,17H2,1H3/b11-10+.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-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-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15818890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).