4-(5-piperidin-1-ylpentylsulfanyl)phenol

C16H25NOS — CID 2837401

IUPAC4-(5-piperidin-1-ylpentylsulfanyl)phenol
SMILESOc1ccc(SCCCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25NOS/c18-15-7-9-16(10-8-15)19-14-6-2-5-13-17-11-3-1-4-12-17/h7-10,18H,1-6,11-14H2
InChIKeyHUORVIOZCVZYFD-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.14
Rot. Bonds7

About 4-(5-piperidin-1-ylpentylsulfanyl)phenol

4-(5-piperidin-1-ylpentylsulfanyl)phenol (PubChem CID 2837401) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-(5-piperidin-1-ylpentylsulfanyl)phenol.

Molecular Properties

Compound Name4-(5-piperidin-1-ylpentylsulfanyl)phenol
PubChem CID2837401
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-(5-piperidin-1-ylpentylsulfanyl)phenol
SMILESOc1ccc(SCCCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25NOS/c18-15-7-9-16(10-8-15)19-14-6-2-5-13-17-11-3-1-4-12-17/h7-10,18H,1-6,11-14H2
InChIKeyHUORVIOZCVZYFD-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.14
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-(5-piperidin-1-ylpentylsulfanyl)phenol?
The IUPAC name of 4-(5-piperidin-1-ylpentylsulfanyl)phenol (CID 2837401) is 4-(5-piperidin-1-ylpentylsulfanyl)phenol.
What is the SMILES notation for 4-(5-piperidin-1-ylpentylsulfanyl)phenol?
The canonical SMILES for 4-(5-piperidin-1-ylpentylsulfanyl)phenol is Oc1ccc(SCCCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(5-piperidin-1-ylpentylsulfanyl)phenol?
The InChIKey is HUORVIOZCVZYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c18-15-7-9-16(10-8-15)19-14-6-2-5-13-17-11-3-1-4-12-17/h7-10,18H,1-6,11-14H2.
What are the key properties of 4-(5-piperidin-1-ylpentylsulfanyl)phenol?
4-(5-piperidin-1-ylpentylsulfanyl)phenol has a molecular weight of 279.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-1-ylpentylsulfanyl)phenol is sourced from PubChem (CID 2837401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).