4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline

C17H22N2S — CID 157041181

IUPAC4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
SMILESCSCCC1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H22N2S/c1-20-13-9-14-7-11-19(12-8-14)17-6-10-18-16-5-3-2-4-15(16)17/h2-6,10,14H,7-9,11-13H2,1H3
InChIKeyOFACTXIWOCLIBH-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.20
Rot. Bonds4

About 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline

4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline (PubChem CID 157041181) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
PubChem CID157041181
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
SMILESCSCCC1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H22N2S/c1-20-13-9-14-7-11-19(12-8-14)17-6-10-18-16-5-3-2-4-15(16)17/h2-6,10,14H,7-9,11-13H2,1H3
InChIKeyOFACTXIWOCLIBH-UHFFFAOYSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline?
The IUPAC name of 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline (CID 157041181) is 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline?
The canonical SMILES for 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline is CSCCC1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline?
The InChIKey is OFACTXIWOCLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-20-13-9-14-7-11-19(12-8-14)17-6-10-18-16-5-3-2-4-15(16)17/h2-6,10,14H,7-9,11-13H2,1H3.
What are the key properties of 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline?
4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline has a molecular weight of 286.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 157041181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).