3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol

C14H27NO3S — CID 114511142

IUPAC3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
SMILESCCC1CN(C2CCCC(S(C)(=O)=O)C2)CCC1O
InChIInChI=1S/C14H27NO3S/c1-3-11-10-15(8-7-14(11)16)12-5-4-6-13(9-12)19(2,17)18/h11-14,16H,3-10H2,1-2H3
InChIKeyYTZLPLYKNBQTJY-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.43
Rot. Bonds3

About 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol

3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol (PubChem CID 114511142) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
PubChem CID114511142
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
SMILESCCC1CN(C2CCCC(S(C)(=O)=O)C2)CCC1O
InChIInChI=1S/C14H27NO3S/c1-3-11-10-15(8-7-14(11)16)12-5-4-6-13(9-12)19(2,17)18/h11-14,16H,3-10H2,1-2H3
InChIKeyYTZLPLYKNBQTJY-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol (CID 114511142) is 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol is CCC1CN(C2CCCC(S(C)(=O)=O)C2)CCC1O.
What is the InChIKey of 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol?
The InChIKey is YTZLPLYKNBQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-11-10-15(8-7-14(11)16)12-5-4-6-13(9-12)19(2,17)18/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol?
3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol has a molecular weight of 289.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol is sourced from PubChem (CID 114511142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).