[1-(1-sulfanylethyl)piperidin-4-yl]methanol

C8H17NOS — CID 138616110

IUPAC[1-(1-sulfanylethyl)piperidin-4-yl]methanol
SMILESCC(S)N1CCC(CO)CC1
InChIInChI=1S/C8H17NOS/c1-7(11)9-4-2-8(6-10)3-5-9/h7-8,10-11H,2-6H2,1H3
InChIKeyDIIYSHGDPXZYAB-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.97
Rot. Bonds2

About [1-(1-sulfanylethyl)piperidin-4-yl]methanol

[1-(1-sulfanylethyl)piperidin-4-yl]methanol (PubChem CID 138616110) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is [1-(1-sulfanylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-sulfanylethyl)piperidin-4-yl]methanol
PubChem CID138616110
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name[1-(1-sulfanylethyl)piperidin-4-yl]methanol
SMILESCC(S)N1CCC(CO)CC1
InChIInChI=1S/C8H17NOS/c1-7(11)9-4-2-8(6-10)3-5-9/h7-8,10-11H,2-6H2,1H3
InChIKeyDIIYSHGDPXZYAB-UHFFFAOYSA-N
XLogP0.97
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(1-sulfanylethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(1-sulfanylethyl)piperidin-4-yl]methanol (CID 138616110) is [1-(1-sulfanylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(1-sulfanylethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(1-sulfanylethyl)piperidin-4-yl]methanol is CC(S)N1CCC(CO)CC1.
What is the InChIKey of [1-(1-sulfanylethyl)piperidin-4-yl]methanol?
The InChIKey is DIIYSHGDPXZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(11)9-4-2-8(6-10)3-5-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of [1-(1-sulfanylethyl)piperidin-4-yl]methanol?
[1-(1-sulfanylethyl)piperidin-4-yl]methanol has a molecular weight of 175.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-sulfanylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 138616110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).