1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol

C15H24N2O3S — CID 111105694

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-14(18)12-16-8-10-17(11-9-16)21(19,20)15-6-4-13(2)5-7-15/h4-7,14,18H,3,8-12H2,1-2H3
InChIKeyROOFXHVPXGRQMI-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.07
Rot. Bonds5

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol (PubChem CID 111105694) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
PubChem CID111105694
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-14(18)12-16-8-10-17(11-9-16)21(19,20)15-6-4-13(2)5-7-15/h4-7,14,18H,3,8-12H2,1-2H3
InChIKeyROOFXHVPXGRQMI-UHFFFAOYSA-N
XLogP1.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 2427595
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 3601395
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
1-[(2S)-butan-2-yl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 6944872
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306
(2S)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 9439886
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol
CID 2962063
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 26498058

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol (CID 111105694) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol is CCC(O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol?
The InChIKey is ROOFXHVPXGRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-14(18)12-16-8-10-17(11-9-16)21(19,20)15-6-4-13(2)5-7-15/h4-7,14,18H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol has a molecular weight of 312.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111105694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).