1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol

C14H22N2O3S — CID 82265087

IUPAC1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)CCN2CCNCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)13-4-2-12(3-5-13)14(17)6-9-16-10-7-15-8-11-16/h2-5,14-15,17H,6-11H2,1H3
InChIKeyCLNFLGBACWGBRT-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.42
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol

1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82265087) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82265087
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)CCN2CCNCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)13-4-2-12(3-5-13)14(17)6-9-16-10-7-15-8-11-16/h2-5,14-15,17H,6-11H2,1H3
InChIKeyCLNFLGBACWGBRT-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91334226
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
CID 171183294
4-methylsulfonyl-N-(3-piperazin-1-ylpropyl)aniline
CID 43453302
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
2-[4-(2-methylpropyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
CID 110897310
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 82265087) is 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol is CS(=O)(=O)c1ccc(C(O)CCN2CCNCC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is CLNFLGBACWGBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(18,19)13-4-2-12(3-5-13)14(17)6-9-16-10-7-15-8-11-16/h2-5,14-15,17H,6-11H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol?
1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82265087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).