2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol

C12H25NO2S — CID 82693649

IUPAC2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(CCCCCS)CC1
InChIInChI=1S/C12H25NO2S/c14-9-10-15-12-4-7-13(8-5-12)6-2-1-3-11-16/h12,14,16H,1-11H2
InChIKeyUCRMDZYGNXFQCF-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.56
Rot. Bonds8

About 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol

2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol (PubChem CID 82693649) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
PubChem CID82693649
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(CCCCCS)CC1
InChIInChI=1S/C12H25NO2S/c14-9-10-15-12-4-7-13(8-5-12)6-2-1-3-11-16/h12,14,16H,1-11H2
InChIKeyUCRMDZYGNXFQCF-UHFFFAOYSA-N
XLogP1.56
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
CID 82012443
3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
CID 69021170
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]butan-1-one
CID 82693325
5-[4-(2-sulfanylethyl)piperidin-1-yl]pentane-1-thiol
CID 139775107
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
CID 82696701
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol (CID 82693649) is 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol is OCCOC1CCN(CCCCCS)CC1.
What is the InChIKey of 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol?
The InChIKey is UCRMDZYGNXFQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c14-9-10-15-12-4-7-13(8-5-12)6-2-1-3-11-16/h12,14,16H,1-11H2.
What are the key properties of 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol?
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol has a molecular weight of 247.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82693649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).