4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline

C18H18F6N2 — CID 21354740

IUPAC4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline
SMILESCC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C18H18F6N2/c1-10(14-7-2-3-8-25-14)12-9-15(18(22,23)24)26-16-11(12)5-4-6-13(16)17(19,20)21/h4-6,9-10,14,25H,2-3,7-8H2,1H3
InChIKeyPJAOIPUALPETNP-UHFFFAOYSA-N
MW376.34 g/mol
LogP5.52
Rot. Bonds2

About 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline

4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline (PubChem CID 21354740) has the molecular formula C18H18F6N2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline
PubChem CID21354740
Molecular FormulaC18H18F6N2
Molecular Weight376.34 g/mol
Exact Mass376.14
IUPAC Name4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline
SMILESCC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C18H18F6N2/c1-10(14-7-2-3-8-25-14)12-9-15(18(22,23)24)26-16-11(12)5-4-6-13(16)17(19,20)21/h4-6,9-10,14,25H,2-3,7-8H2,1H3
InChIKeyPJAOIPUALPETNP-UHFFFAOYSA-N
XLogP5.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline (CID 21354740) is 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline is CC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1.
What is the InChIKey of 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is PJAOIPUALPETNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2/c1-10(14-7-2-3-8-25-14)12-9-15(18(22,23)24)26-16-11(12)5-4-6-13(16)17(19,20)21/h4-6,9-10,14,25H,2-3,7-8H2,1H3.
What are the key properties of 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline?
4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 376.34 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 21354740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).