2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C25H34N2O2 — CID 45217591

IUPAC2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccccc1/C=C/CN1CCN(CCCc2ccccc2)C(CCO)C1
InChIInChI=1S/C25H34N2O2/c1-29-25-14-6-5-12-23(25)13-8-16-26-18-19-27(24(21-26)15-20-28)17-7-11-22-9-3-2-4-10-22/h2-6,8-10,12-14,24,28H,7,11,15-21H2,1H3/b13-8+
InChIKeyXOVAXEHOYFYFGM-MDWZMJQESA-N
MW394.56 g/mol
LogP3.71
Rot. Bonds10

About 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 45217591) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID45217591
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccccc1/C=C/CN1CCN(CCCc2ccccc2)C(CCO)C1
InChIInChI=1S/C25H34N2O2/c1-29-25-14-6-5-12-23(25)13-8-16-26-18-19-27(24(21-26)15-20-28)17-7-11-22-9-3-2-4-10-22/h2-6,8-10,12-14,24,28H,7,11,15-21H2,1H3/b13-8+
InChIKeyXOVAXEHOYFYFGM-MDWZMJQESA-N
XLogP3.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol 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

2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51723799
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[(2R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 93233467
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methylpiperazine-2-carboxylic acid
CID 56704200
2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29185332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 45217591) is 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is COc1ccccc1/C=C/CN1CCN(CCCc2ccccc2)C(CCO)C1.
What is the InChIKey of 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is XOVAXEHOYFYFGM-MDWZMJQESA-N. The full InChI is InChI=1S/C25H34N2O2/c1-29-25-14-6-5-12-23(25)13-8-16-26-18-19-27(24(21-26)15-20-28)17-7-11-22-9-3-2-4-10-22/h2-6,8-10,12-14,24,28H,7,11,15-21H2,1H3/b13-8+.
What are the key properties of 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 394.56 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45217591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).