4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol

C17H21NOS — CID 105061395

IUPAC4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCC2CCNCC2)c2ccccc12
InChIInChI=1S/C17H21NOS/c19-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-18-11-8-13/h1-6,13,18-19H,7-12H2
InChIKeyGOKBHAGJDRPZNG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.03
Rot. Bonds4

About 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol

4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol (PubChem CID 105061395) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol
PubChem CID105061395
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCC2CCNCC2)c2ccccc12
InChIInChI=1S/C17H21NOS/c19-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-18-11-8-13/h1-6,13,18-19H,7-12H2
InChIKeyGOKBHAGJDRPZNG-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol (CID 105061395) is 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol is Oc1ccc(SCCC2CCNCC2)c2ccccc12.
What is the InChIKey of 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol?
The InChIKey is GOKBHAGJDRPZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-18-11-8-13/h1-6,13,18-19H,7-12H2.
What are the key properties of 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol?
4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol has a molecular weight of 287.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-4-ylethylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 105061395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).