benzenethiol;piperidin-4-ol

C11H17NOS — CID 155572155

IUPACbenzenethiol;piperidin-4-ol
SMILESOC1CCNCC1.Sc1ccccc1
InChIInChI=1S/C6H6S.C5H11NO/c7-6-4-2-1-3-5-6;7-5-1-3-6-4-2-5/h1-5,7H;5-7H,1-4H2
InChIKeyYJMRKUBYKHDADD-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.71
Rot. Bonds

About benzenethiol;piperidin-4-ol

benzenethiol;piperidin-4-ol (PubChem CID 155572155) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is benzenethiol;piperidin-4-ol.

Molecular Properties

Compound Namebenzenethiol;piperidin-4-ol
PubChem CID155572155
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Namebenzenethiol;piperidin-4-ol
SMILESOC1CCNCC1.Sc1ccccc1
InChIInChI=1S/C6H6S.C5H11NO/c7-6-4-2-1-3-5-6;7-5-1-3-6-4-2-5/h1-5,7H;5-7H,1-4H2
InChIKeyYJMRKUBYKHDADD-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
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 benzenethiol;piperidin-4-ol?
The IUPAC name of benzenethiol;piperidin-4-ol (CID 155572155) is benzenethiol;piperidin-4-ol.
What is the SMILES notation for benzenethiol;piperidin-4-ol?
The canonical SMILES for benzenethiol;piperidin-4-ol is OC1CCNCC1.Sc1ccccc1.
What is the InChIKey of benzenethiol;piperidin-4-ol?
The InChIKey is YJMRKUBYKHDADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.C5H11NO/c7-6-4-2-1-3-5-6;7-5-1-3-6-4-2-5/h1-5,7H;5-7H,1-4H2.
What are the key properties of benzenethiol;piperidin-4-ol?
benzenethiol;piperidin-4-ol has a molecular weight of 211.33 g/mol, XLogP of 1.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiol;piperidin-4-ol is sourced from PubChem (CID 155572155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).