8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline

C15H14ClF3N2 — CID 2823145

IUPAC8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(N2CCCCC2)c2cccc(Cl)c2n1
InChIInChI=1S/C15H14ClF3N2/c16-11-6-4-5-10-12(21-7-2-1-3-8-21)9-13(15(17,18)19)20-14(10)11/h4-6,9H,1-3,7-8H2
InChIKeyBQIYTRGWMXQPNC-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.90
Rot. Bonds1

About 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline

8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline (PubChem CID 2823145) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline
PubChem CID2823145
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(N2CCCCC2)c2cccc(Cl)c2n1
InChIInChI=1S/C15H14ClF3N2/c16-11-6-4-5-10-12(21-7-2-1-3-8-21)9-13(15(17,18)19)20-14(10)11/h4-6,9H,1-3,7-8H2
InChIKeyBQIYTRGWMXQPNC-UHFFFAOYSA-N
XLogP4.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline (CID 2823145) is 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(N2CCCCC2)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline?
The InChIKey is BQIYTRGWMXQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c16-11-6-4-5-10-12(21-7-2-1-3-8-21)9-13(15(17,18)19)20-14(10)11/h4-6,9H,1-3,7-8H2.
What are the key properties of 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline?
8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline has a molecular weight of 314.74 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2823145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).