1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol

C15H14ClF3N2O — CID 94002429

IUPAC1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C15H14ClF3N2O/c16-12-8-20-13-7-9(15(17,18)19)1-2-11(13)14(12)21-5-3-10(22)4-6-21/h1-2,7-8,10,22H,3-6H2
InChIKeyUKBNEFMEVWIGKQ-UHFFFAOYSA-N
MW330.74 g/mol
LogP3.87
Rot. Bonds1

About 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol

1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol (PubChem CID 94002429) has the molecular formula C15H14ClF3N2O and a molecular weight of 330.74 g/mol. Its IUPAC name is 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
PubChem CID94002429
Molecular FormulaC15H14ClF3N2O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C15H14ClF3N2O/c16-12-8-20-13-7-9(15(17,18)19)1-2-11(13)14(12)21-5-3-10(22)4-6-21/h1-2,7-8,10,22H,3-6H2
InChIKeyUKBNEFMEVWIGKQ-UHFFFAOYSA-N
XLogP3.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol (CID 94002429) is 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol is OC1CCN(c2c(Cl)cnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The InChIKey is UKBNEFMEVWIGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O/c16-12-8-20-13-7-9(15(17,18)19)1-2-11(13)14(12)21-5-3-10(22)4-6-21/h1-2,7-8,10,22H,3-6H2.
What are the key properties of 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol has a molecular weight of 330.74 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol is sourced from PubChem (CID 94002429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).