1-(3-methylsulfanylpropyl)piperidin-4-ol

C9H19NOS — CID 115647625

IUPAC1-(3-methylsulfanylpropyl)piperidin-4-ol
SMILESCSCCCN1CCC(O)CC1
InChIInChI=1S/C9H19NOS/c1-12-8-2-5-10-6-3-9(11)4-7-10/h9,11H,2-8H2,1H3
InChIKeyJKMWCGYGBYPEJP-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)piperidin-4-ol

1-(3-methylsulfanylpropyl)piperidin-4-ol (PubChem CID 115647625) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)piperidin-4-ol
PubChem CID115647625
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-(3-methylsulfanylpropyl)piperidin-4-ol
SMILESCSCCCN1CCC(O)CC1
InChIInChI=1S/C9H19NOS/c1-12-8-2-5-10-6-3-9(11)4-7-10/h9,11H,2-8H2,1H3
InChIKeyJKMWCGYGBYPEJP-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)piperidin-4-ol?
The IUPAC name of 1-(3-methylsulfanylpropyl)piperidin-4-ol (CID 115647625) is 1-(3-methylsulfanylpropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-methylsulfanylpropyl)piperidin-4-ol is CSCCCN1CCC(O)CC1.
What is the InChIKey of 1-(3-methylsulfanylpropyl)piperidin-4-ol?
The InChIKey is JKMWCGYGBYPEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-8-2-5-10-6-3-9(11)4-7-10/h9,11H,2-8H2,1H3.
What are the key properties of 1-(3-methylsulfanylpropyl)piperidin-4-ol?
1-(3-methylsulfanylpropyl)piperidin-4-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)piperidin-4-ol is sourced from PubChem (CID 115647625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).