4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol

C13H26N2O3S — CID 55134298

IUPAC4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N2O3S/c1-11-3-4-13(16)12(9-11)10-14-5-7-15(8-6-14)19(2,17)18/h11-13,16H,3-10H2,1-2H3
InChIKeyNRPIVRUVNXHNRC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.36
Rot. Bonds3

About 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol

4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 55134298) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID55134298
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N2O3S/c1-11-3-4-13(16)12(9-11)10-14-5-7-15(8-6-14)19(2,17)18/h11-13,16H,3-10H2,1-2H3
InChIKeyNRPIVRUVNXHNRC-UHFFFAOYSA-N
XLogP0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 55134298) is 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol is CC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is NRPIVRUVNXHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-3-4-13(16)12(9-11)10-14-5-7-15(8-6-14)19(2,17)18/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 55134298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).