2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol

C20H40N2O2S — CID 167423309

IUPAC2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCCSCCCN2CCC(CCO)CC2)CC1
InChIInChI=1S/C20H40N2O2S/c23-15-7-19-3-11-21(12-4-19)9-1-17-25-18-2-10-22-13-5-20(6-14-22)8-16-24/h19-20,23-24H,1-18H2
InChIKeyRQQZWVUHZPZDLR-UHFFFAOYSA-N
MW372.62 g/mol
LogP2.69
Rot. Bonds12

About 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol

2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol (PubChem CID 167423309) has the molecular formula C20H40N2O2S and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
PubChem CID167423309
Molecular FormulaC20H40N2O2S
Molecular Weight372.62 g/mol
Exact Mass372.28
IUPAC Name2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCCSCCCN2CCC(CCO)CC2)CC1
InChIInChI=1S/C20H40N2O2S/c23-15-7-19-3-11-21(12-4-19)9-1-17-25-18-2-10-22-13-5-20(6-14-22)8-16-24/h19-20,23-24H,1-18H2
InChIKeyRQQZWVUHZPZDLR-UHFFFAOYSA-N
XLogP2.69
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 165355086
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
CID 115741267
2-[1-(2-azidoethyl)piperidin-4-yl]ethanol
CID 121201308
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
1-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride
CID 131719164
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol (CID 167423309) is 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol is OCCC1CCN(CCCSCCCN2CCC(CCO)CC2)CC1.
What is the InChIKey of 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol?
The InChIKey is RQQZWVUHZPZDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2S/c23-15-7-19-3-11-21(12-4-19)9-1-17-25-18-2-10-22-13-5-20(6-14-22)8-16-24/h19-20,23-24H,1-18H2.
What are the key properties of 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol?
2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol has a molecular weight of 372.62 g/mol, XLogP of 2.69, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 167423309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).