4-(3-piperidin-1-ylpropylsulfanyl)quinoline

C17H22N2S — CID 10379270

IUPAC4-(3-piperidin-1-ylpropylsulfanyl)quinoline
SMILESc1ccc2c(SCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C17H22N2S/c1-4-11-19(12-5-1)13-6-14-20-17-9-10-18-16-8-3-2-7-15(16)17/h2-3,7-10H,1,4-6,11-14H2
InChIKeyRPWJNJAZTRERFK-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.20
Rot. Bonds5

About 4-(3-piperidin-1-ylpropylsulfanyl)quinoline

4-(3-piperidin-1-ylpropylsulfanyl)quinoline (PubChem CID 10379270) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropylsulfanyl)quinoline.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropylsulfanyl)quinoline
PubChem CID10379270
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-(3-piperidin-1-ylpropylsulfanyl)quinoline
SMILESc1ccc2c(SCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C17H22N2S/c1-4-11-19(12-5-1)13-6-14-20-17-9-10-18-16-8-3-2-7-15(16)17/h2-3,7-10H,1,4-6,11-14H2
InChIKeyRPWJNJAZTRERFK-UHFFFAOYSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
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-(3-piperidin-1-ylpropylsulfanyl)quinoline?
The IUPAC name of 4-(3-piperidin-1-ylpropylsulfanyl)quinoline (CID 10379270) is 4-(3-piperidin-1-ylpropylsulfanyl)quinoline.
What is the SMILES notation for 4-(3-piperidin-1-ylpropylsulfanyl)quinoline?
The canonical SMILES for 4-(3-piperidin-1-ylpropylsulfanyl)quinoline is c1ccc2c(SCCCN3CCCCC3)ccnc2c1.
What is the InChIKey of 4-(3-piperidin-1-ylpropylsulfanyl)quinoline?
The InChIKey is RPWJNJAZTRERFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-11-19(12-5-1)13-6-14-20-17-9-10-18-16-8-3-2-7-15(16)17/h2-3,7-10H,1,4-6,11-14H2.
What are the key properties of 4-(3-piperidin-1-ylpropylsulfanyl)quinoline?
4-(3-piperidin-1-ylpropylsulfanyl)quinoline has a molecular weight of 286.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropylsulfanyl)quinoline is sourced from PubChem (CID 10379270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).