1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol

C11H23NO2S — CID 174180938

IUPAC1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol
SMILESCSOCCN1CCC(O)(C(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-10(2)11(13)4-6-12(7-5-11)8-9-14-15-3/h10,13H,4-9H2,1-3H3
InChIKeyZLCDRPHLAMKOII-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.76
Rot. Bonds5

About 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol

1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol (PubChem CID 174180938) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol
PubChem CID174180938
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol
SMILESCSOCCN1CCC(O)(C(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-10(2)11(13)4-6-12(7-5-11)8-9-14-15-3/h10,13H,4-9H2,1-3H3
InChIKeyZLCDRPHLAMKOII-UHFFFAOYSA-N
XLogP1.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol?
The IUPAC name of 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol (CID 174180938) is 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol is CSOCCN1CCC(O)(C(C)C)CC1.
What is the InChIKey of 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol?
The InChIKey is ZLCDRPHLAMKOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)11(13)4-6-12(7-5-11)8-9-14-15-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol?
1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol has a molecular weight of 233.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 174180938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).