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

C14H28N2O3S — CID 62992445

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H28N2O3S/c1-3-4-12-5-6-14(17)13(11-12)15-7-9-16(10-8-15)20(2,18)19/h12-14,17H,3-11H2,1-2H3
InChIKeyHHFMDMLICQBZGL-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.89
Rot. Bonds4

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

2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol (PubChem CID 62992445) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol
PubChem CID62992445
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H28N2O3S/c1-3-4-12-5-6-14(17)13(11-12)15-7-9-16(10-8-15)20(2,18)19/h12-14,17H,3-11H2,1-2H3
InChIKeyHHFMDMLICQBZGL-UHFFFAOYSA-N
XLogP0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol (CID 62992445) is 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol?
The InChIKey is HHFMDMLICQBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-4-12-5-6-14(17)13(11-12)15-7-9-16(10-8-15)20(2,18)19/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol?
2-(4-methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.89, 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)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62992445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).