4-(4-piperidin-1-ylbutylsulfanyl)phenol

C15H23NOS — CID 2837394

IUPAC4-(4-piperidin-1-ylbutylsulfanyl)phenol
SMILESOc1ccc(SCCCCN2CCCCC2)cc1
InChIInChI=1S/C15H23NOS/c17-14-6-8-15(9-7-14)18-13-5-4-12-16-10-2-1-3-11-16/h6-9,17H,1-5,10-13H2
InChIKeyACUNYCXPPYOPBB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.75
Rot. Bonds6

About 4-(4-piperidin-1-ylbutylsulfanyl)phenol

4-(4-piperidin-1-ylbutylsulfanyl)phenol (PubChem CID 2837394) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylbutylsulfanyl)phenol.

Molecular Properties

Compound Name4-(4-piperidin-1-ylbutylsulfanyl)phenol
PubChem CID2837394
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(4-piperidin-1-ylbutylsulfanyl)phenol
SMILESOc1ccc(SCCCCN2CCCCC2)cc1
InChIInChI=1S/C15H23NOS/c17-14-6-8-15(9-7-14)18-13-5-4-12-16-10-2-1-3-11-16/h6-9,17H,1-5,10-13H2
InChIKeyACUNYCXPPYOPBB-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.75
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 4-(4-piperidin-1-ylbutylsulfanyl)phenol?
The IUPAC name of 4-(4-piperidin-1-ylbutylsulfanyl)phenol (CID 2837394) is 4-(4-piperidin-1-ylbutylsulfanyl)phenol.
What is the SMILES notation for 4-(4-piperidin-1-ylbutylsulfanyl)phenol?
The canonical SMILES for 4-(4-piperidin-1-ylbutylsulfanyl)phenol is Oc1ccc(SCCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylbutylsulfanyl)phenol?
The InChIKey is ACUNYCXPPYOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c17-14-6-8-15(9-7-14)18-13-5-4-12-16-10-2-1-3-11-16/h6-9,17H,1-5,10-13H2.
What are the key properties of 4-(4-piperidin-1-ylbutylsulfanyl)phenol?
4-(4-piperidin-1-ylbutylsulfanyl)phenol has a molecular weight of 265.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylbutylsulfanyl)phenol is sourced from PubChem (CID 2837394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).