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

C23H29FN2O2 — CID 51723799

IUPAC2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1/C=C/CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1
InChIInChI=1S/C23H29FN2O2/c1-28-23-7-3-2-5-20(23)6-4-13-25-14-15-26(22(18-25)12-16-27)17-19-8-10-21(24)11-9-19/h2-11,22,27H,12-18H2,1H3/b6-4+/t22-/m1/s1
InChIKeyJYKSHTOVDNWVEL-UKKYDJSUSA-N
MW384.50 g/mol
LogP3.42
Rot. Bonds8

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

2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol (PubChem CID 51723799) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol
PubChem CID51723799
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1/C=C/CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1
InChIInChI=1S/C23H29FN2O2/c1-28-23-7-3-2-5-20(23)6-4-13-25-14-15-26(22(18-25)12-16-27)17-19-8-10-21(24)11-9-19/h2-11,22,27H,12-18H2,1H3/b6-4+/t22-/m1/s1
InChIKeyJYKSHTOVDNWVEL-UKKYDJSUSA-N
XLogP3.42
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]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)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 93233467
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45217591
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-[1-[(2-ethoxyphenyl)methyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 45171309
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 93233449
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210132
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-methoxyphenol
CID 29087860

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol (CID 51723799) is 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol is COc1ccccc1/C=C/CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1.
What is the InChIKey of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is JYKSHTOVDNWVEL-UKKYDJSUSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-23-7-3-2-5-20(23)6-4-13-25-14-15-26(22(18-25)12-16-27)17-19-8-10-21(24)11-9-19/h2-11,22,27H,12-18H2,1H3/b6-4+/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol?
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol has a molecular weight of 384.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-fluorophenyl)methyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51723799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).