2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

C17H22N2O2S — CID 171274568

IUPAC2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESCCOc1cc([C@H](c2cccs2)N2CCNCC2)ccc1O
InChIInChI=1S/C17H22N2O2S/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/t17-/m1/s1
InChIKeyVZUBMSZPAPLEJE-QGZVFWFLSA-N
MW318.44 g/mol
LogP2.85
Rot. Bonds5

About 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (PubChem CID 171274568) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
PubChem CID171274568
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESCCOc1cc([C@H](c2cccs2)N2CCNCC2)ccc1O
InChIInChI=1S/C17H22N2O2S/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/t17-/m1/s1
InChIKeyVZUBMSZPAPLEJE-QGZVFWFLSA-N
XLogP2.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287197
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-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (CID 171274568) is 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is CCOc1cc([C@H](c2cccs2)N2CCNCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is VZUBMSZPAPLEJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2S/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/t17-/m1/s1.
What are the key properties of 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 318.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 171274568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).