2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol

C17H19F3N2O2 — CID 133401937

IUPAC2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)12-3-4-14-15(10-12)21-6-5-16(14)22-7-1-2-13(11-22)24-9-8-23/h3-6,10,13,23H,1-2,7-9,11H2
InChIKeyDLHZXZVNCWAWMP-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.23
Rot. Bonds4

About 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol

2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol (PubChem CID 133401937) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
PubChem CID133401937
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)12-3-4-14-15(10-12)21-6-5-16(14)22-7-1-2-13(11-22)24-9-8-23/h3-6,10,13,23H,1-2,7-9,11H2
InChIKeyDLHZXZVNCWAWMP-UHFFFAOYSA-N
XLogP3.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
CID 133315310
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402824
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
4-chloro-N-[[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methyl]aniline
CID 166336183
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
CID 175651784
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
[1-[[1-[7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133412054
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289

Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol (CID 133401937) is 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol is OCCOC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1.
What is the InChIKey of 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol?
The InChIKey is DLHZXZVNCWAWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)12-3-4-14-15(10-12)21-6-5-16(14)22-7-1-2-13(11-22)24-9-8-23/h3-6,10,13,23H,1-2,7-9,11H2.
What are the key properties of 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol?
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol has a molecular weight of 340.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133401937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).