2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol

C12H25NO2S — CID 115771131

IUPAC2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
SMILESCCSCCCN1CCC(OCCO)CC1
InChIInChI=1S/C12H25NO2S/c1-2-16-11-3-6-13-7-4-12(5-8-13)15-10-9-14/h12,14H,2-11H2,1H3
InChIKeyDBRIFRBMEQBDNZ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.60
Rot. Bonds8

About 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol

2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol (PubChem CID 115771131) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
PubChem CID115771131
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
SMILESCCSCCCN1CCC(OCCO)CC1
InChIInChI=1S/C12H25NO2S/c1-2-16-11-3-6-13-7-4-12(5-8-13)15-10-9-14/h12,14H,2-11H2,1H3
InChIKeyDBRIFRBMEQBDNZ-UHFFFAOYSA-N
XLogP1.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
1-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
CID 115741267
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
CID 115741392
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
CID 82012443
[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102788799
[1-(2-ethylsulfanylethyl)piperidin-4-yl]methanol
CID 111432876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol (CID 115771131) is 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol is CCSCCCN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol?
The InChIKey is DBRIFRBMEQBDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-2-16-11-3-6-13-7-4-12(5-8-13)15-10-9-14/h12,14H,2-11H2,1H3.
What are the key properties of 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol?
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol has a molecular weight of 247.40 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 115771131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).