2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol

C15H24N2O3S — CID 61151230

IUPAC2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
SMILESCCCS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-13-21(19,20)15-5-3-14(4-6-15)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-13H2,1H3
InChIKeyHVYWZRCYIBCQDE-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.98
Rot. Bonds6

About 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol

2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol (PubChem CID 61151230) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
PubChem CID61151230
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
SMILESCCCS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-13-21(19,20)15-5-3-14(4-6-15)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-13H2,1H3
InChIKeyHVYWZRCYIBCQDE-UHFFFAOYSA-N
XLogP0.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol (CID 61151230) is 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol is CCCS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol?
The InChIKey is HVYWZRCYIBCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-13-21(19,20)15-5-3-14(4-6-15)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-13H2,1H3.
What are the key properties of 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol?
2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 61151230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).