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

C12H25NOS — CID 114511149

IUPAC3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
SMILESCCSCCCN1CCC(O)C(CC)C1
InChIInChI=1S/C12H25NOS/c1-3-11-10-13(8-6-12(11)14)7-5-9-15-4-2/h11-12,14H,3-10H2,1-2H3
InChIKeyGMEWTPYWRAMHNN-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.22
Rot. Bonds6

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

3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol (PubChem CID 114511149) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
PubChem CID114511149
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
SMILESCCSCCCN1CCC(O)C(CC)C1
InChIInChI=1S/C12H25NOS/c1-3-11-10-13(8-6-12(11)14)7-5-9-15-4-2/h11-12,14H,3-10H2,1-2H3
InChIKeyGMEWTPYWRAMHNN-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
3-ethyl-1-hept-6-enylpiperidin-4-ol
CID 107011021
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
CID 115741267
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051
1-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol (CID 114511149) is 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol is CCSCCCN1CCC(O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol?
The InChIKey is GMEWTPYWRAMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-11-10-13(8-6-12(11)14)7-5-9-15-4-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol?
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol has a molecular weight of 231.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol is sourced from PubChem (CID 114511149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).