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

C14H28N2O3S — CID 63002762

IUPAC4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H28N2O3S/c1-3-12-4-5-14(17)13(10-12)11-15-6-8-16(9-7-15)20(2,18)19/h12-14,17H,3-11H2,1-2H3
InChIKeyFOIQKGQDNYPJKW-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.75
Rot. Bonds4

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

4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 63002762) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID63002762
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H28N2O3S/c1-3-12-4-5-14(17)13(10-12)11-15-6-8-16(9-7-15)20(2,18)19/h12-14,17H,3-11H2,1-2H3
InChIKeyFOIQKGQDNYPJKW-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 63002762) is 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is FOIQKGQDNYPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-12-4-5-14(17)13(10-12)11-15-6-8-16(9-7-15)20(2,18)19/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63002762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).