2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol

C14H22N2O3S — CID 62992614

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O3S/c1-12(14(17)13-6-4-3-5-7-13)15-8-10-16(11-9-15)20(2,18)19/h3-7,12,14,17H,8-11H2,1-2H3
InChIKeyIUQFORAKVQSNON-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.69
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol

2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol (PubChem CID 62992614) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
PubChem CID62992614
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O3S/c1-12(14(17)13-6-4-3-5-7-13)15-8-10-16(11-9-15)20(2,18)19/h3-7,12,14,17H,8-11H2,1-2H3
InChIKeyIUQFORAKVQSNON-UHFFFAOYSA-N
XLogP0.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
(3aR,6aS)-2-(1-hydroxy-1-phenylpropan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818667
1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
CID 21183788
(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 110184452
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
(1S,2R)-2-[(5R,6S)-2,2,3,3,5,6-hexadeuterio-4-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 101102848
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
(4S,5R)-5-methyl-1-methylsulfonyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 169045175

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol (CID 62992614) is 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol is CC(C(O)c1ccccc1)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol?
The InChIKey is IUQFORAKVQSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(14(17)13-6-4-3-5-7-13)15-8-10-16(11-9-15)20(2,18)19/h3-7,12,14,17H,8-11H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol?
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 62992614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).