2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride

C17H24Cl2N2O2S — CID 171287197

IUPAC2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
SMILESCCOc1cc([C@@H](c2cccs2)N2CCNCC2)ccc1O.Cl.Cl
InChIInChI=1S/C17H22N2O2S.2ClH/c1-2-21-15-12-13(5-6-14(15)20)17(16-4-3-11-22-16)19-9-7-18-8-10-19;;/h3-6,11-12,17-18,20H,2,7-10H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyDPUVMBCDBFRPDS-RMRYJAPISA-N
MW391.36 g/mol
LogP3.69
Rot. Bonds5

About 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride

2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride (PubChem CID 171287197) has the molecular formula C17H24Cl2N2O2S and a molecular weight of 391.36 g/mol. Its IUPAC name is 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
PubChem CID171287197
Molecular FormulaC17H24Cl2N2O2S
Molecular Weight391.36 g/mol
Exact Mass390.09
IUPAC Name2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
SMILESCCOc1cc([C@@H](c2cccs2)N2CCNCC2)ccc1O.Cl.Cl
InChIInChI=1S/C17H22N2O2S.2ClH/c1-2-21-15-12-13(5-6-14(15)20)17(16-4-3-11-22-16)19-9-7-18-8-10-19;;/h3-6,11-12,17-18,20H,2,7-10H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyDPUVMBCDBFRPDS-RMRYJAPISA-N
XLogP3.69
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride 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-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514
1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
2-chloro-6-methoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171296198
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
CID 171178730

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
The IUPAC name of 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride (CID 171287197) is 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride.
What is the SMILES notation for 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
The canonical SMILES for 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride is CCOc1cc([C@@H](c2cccs2)N2CCNCC2)ccc1O.Cl.Cl.
What is the InChIKey of 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
The InChIKey is DPUVMBCDBFRPDS-RMRYJAPISA-N. The full InChI is InChI=1S/C17H22N2O2S.2ClH/c1-2-21-15-12-13(5-6-14(15)20)17(16-4-3-11-22-16)19-9-7-18-8-10-19;;/h3-6,11-12,17-18,20H,2,7-10H2,1H3;2*1H/t17-;;/m0../s1.
What are the key properties of 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride has a molecular weight of 391.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride is sourced from PubChem (CID 171287197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).