1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol

C15H13Cl2F3N2O — CID 2823569

IUPAC1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c23)CC1
InChIInChI=1S/C15H13Cl2F3N2O/c16-8-5-10(17)14-11(6-8)21-13(15(18,19)20)7-12(14)22-3-1-9(23)2-4-22/h5-7,9,23H,1-4H2
InChIKeyWZDMYDFXNZUQRL-UHFFFAOYSA-N
MW365.18 g/mol
LogP4.52
Rot. Bonds1

About 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol

1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol (PubChem CID 2823569) has the molecular formula C15H13Cl2F3N2O and a molecular weight of 365.18 g/mol. Its IUPAC name is 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
PubChem CID2823569
Molecular FormulaC15H13Cl2F3N2O
Molecular Weight365.18 g/mol
Exact Mass364.04
IUPAC Name1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c23)CC1
InChIInChI=1S/C15H13Cl2F3N2O/c16-8-5-10(17)14-11(6-8)21-13(15(18,19)20)7-12(14)22-3-1-9(23)2-4-22/h5-7,9,23H,1-4H2
InChIKeyWZDMYDFXNZUQRL-UHFFFAOYSA-N
XLogP4.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol (CID 2823569) is 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol is OC1CCN(c2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c23)CC1.
What is the InChIKey of 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The InChIKey is WZDMYDFXNZUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N2O/c16-8-5-10(17)14-11(6-8)21-13(15(18,19)20)7-12(14)22-3-1-9(23)2-4-22/h5-7,9,23H,1-4H2.
What are the key properties of 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol has a molecular weight of 365.18 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-dichloro-2-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol is sourced from PubChem (CID 2823569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).