1-ethyl-4-methylsulfanylpiperidin-4-ol

C8H17NOS — CID 170737558

IUPAC1-ethyl-4-methylsulfanylpiperidin-4-ol
SMILESCCN1CCC(O)(SC)CC1
InChIInChI=1S/C8H17NOS/c1-3-9-6-4-8(10,11-2)5-7-9/h10H,3-7H2,1-2H3
InChIKeyALNJKKSUFLBHNT-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.15
Rot. Bonds2

About 1-ethyl-4-methylsulfanylpiperidin-4-ol

1-ethyl-4-methylsulfanylpiperidin-4-ol (PubChem CID 170737558) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylpiperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylpiperidin-4-ol
PubChem CID170737558
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-ethyl-4-methylsulfanylpiperidin-4-ol
SMILESCCN1CCC(O)(SC)CC1
InChIInChI=1S/C8H17NOS/c1-3-9-6-4-8(10,11-2)5-7-9/h10H,3-7H2,1-2H3
InChIKeyALNJKKSUFLBHNT-UHFFFAOYSA-N
XLogP1.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylpiperidin-4-ol?
The IUPAC name of 1-ethyl-4-methylsulfanylpiperidin-4-ol (CID 170737558) is 1-ethyl-4-methylsulfanylpiperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-methylsulfanylpiperidin-4-ol?
The canonical SMILES for 1-ethyl-4-methylsulfanylpiperidin-4-ol is CCN1CCC(O)(SC)CC1.
What is the InChIKey of 1-ethyl-4-methylsulfanylpiperidin-4-ol?
The InChIKey is ALNJKKSUFLBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-9-6-4-8(10,11-2)5-7-9/h10H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylpiperidin-4-ol?
1-ethyl-4-methylsulfanylpiperidin-4-ol has a molecular weight of 175.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylpiperidin-4-ol is sourced from PubChem (CID 170737558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).