2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol

C17H19F3N2O — CID 90669195

IUPAC2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol
SMILESOC(CC1CCCCN1)c1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)14-6-3-5-13-12(7-9-22-16(13)14)15(23)10-11-4-1-2-8-21-11/h3,5-7,9,11,15,21,23H,1-2,4,8,10H2
InChIKeyLANOYRCRNIEZRU-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.82
Rot. Bonds3

About 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol

2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol (PubChem CID 90669195) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol
PubChem CID90669195
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol
SMILESOC(CC1CCCCN1)c1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)14-6-3-5-13-12(7-9-22-16(13)14)15(23)10-11-4-1-2-8-21-11/h3,5-7,9,11,15,21,23H,1-2,4,8,10H2
InChIKeyLANOYRCRNIEZRU-UHFFFAOYSA-N
XLogP3.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
2-piperidin-2-yl-1-(2-propan-2-ylquinolin-4-yl)ethanol
CID 90669677
2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685769
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
1-[6,7-dichloro-2,4-bis(trifluoromethyl)phenanthren-9-yl]-2-piperidin-2-ylethanol
CID 90668830
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
CID 79560663
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748
3-pyrrolidin-2-yl-1-(8-sulfanylquinolin-4-yl)propan-1-one
CID 158930235
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol?
The IUPAC name of 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol (CID 90669195) is 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol.
What is the SMILES notation for 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol?
The canonical SMILES for 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol is OC(CC1CCCCN1)c1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol?
The InChIKey is LANOYRCRNIEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c18-17(19,20)14-6-3-5-13-12(7-9-22-16(13)14)15(23)10-11-4-1-2-8-21-11/h3,5-7,9,11,15,21,23H,1-2,4,8,10H2.
What are the key properties of 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol?
2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol has a molecular weight of 324.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol is sourced from PubChem (CID 90669195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).