(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol

C21H28N2O2S — CID 92856436

IUPAC(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SMILESCCOc1ccccc1N1CCN(C[C@@H](O)CSc2ccccc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-2-25-21-11-7-6-10-20(21)23-14-12-22(13-15-23)16-18(24)17-26-19-8-4-3-5-9-19/h3-11,18,24H,2,12-17H2,1H3/t18-/m1/s1
InChIKeyAMRPQPBOUVTWFF-GOSISDBHSA-N
MW372.53 g/mol
LogP3.36
Rot. Bonds8

About (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol

(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol (PubChem CID 92856436) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
PubChem CID92856436
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SMILESCCOc1ccccc1N1CCN(C[C@@H](O)CSc2ccccc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-2-25-21-11-7-6-10-20(21)23-14-12-22(13-15-23)16-18(24)17-26-19-8-4-3-5-9-19/h3-11,18,24H,2,12-17H2,1H3/t18-/m1/s1
InChIKeyAMRPQPBOUVTWFF-GOSISDBHSA-N
XLogP3.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol 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-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol
CID 4555412
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 10454420
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol;hydrochloride
CID 45261253
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856413
(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 40783173
1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol
CID 3947171
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
(2R)-1-(3-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476137
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol (CID 92856436) is (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol is CCOc1ccccc1N1CCN(C[C@@H](O)CSc2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The InChIKey is AMRPQPBOUVTWFF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-2-25-21-11-7-6-10-20(21)23-14-12-22(13-15-23)16-18(24)17-26-19-8-4-3-5-9-19/h3-11,18,24H,2,12-17H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol has a molecular weight of 372.53 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 92856436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).