2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol

C11H23NOS — CID 86805817

IUPAC2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol
SMILESCC(CO)SCCCN1CCCCC1
InChIInChI=1S/C11H23NOS/c1-11(10-13)14-9-5-8-12-6-3-2-4-7-12/h11,13H,2-10H2,1H3
InChIKeyFCUYLBRVZWVLBU-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol

2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol (PubChem CID 86805817) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol
PubChem CID86805817
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol
SMILESCC(CO)SCCCN1CCCCC1
InChIInChI=1S/C11H23NOS/c1-11(10-13)14-9-5-8-12-6-3-2-4-7-12/h11,13H,2-10H2,1H3
InChIKeyFCUYLBRVZWVLBU-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.98
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 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
The IUPAC name of 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol (CID 86805817) is 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol is CC(CO)SCCCN1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
The InChIKey is FCUYLBRVZWVLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(10-13)14-9-5-8-12-6-3-2-4-7-12/h11,13H,2-10H2,1H3.
What are the key properties of 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol?
2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropylsulfanyl)propan-1-ol is sourced from PubChem (CID 86805817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).