Skip to content

Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate

C24H23F3N2O2 — CID 156537969

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3cc(-c4cccc(C(F)(F)F)c4)ccc3n2)CC1
InChIInChI=1S/C24H23F3N2O2/c1-2-31-23(30)16-10-12-29(13-11-16)22-9-7-19-14-18(6-8-21(19)28-22)17-4-3-5-20(15-17)24(25,26)27/h3-9,14-16H,2,10-13H2,1H3
InChIKeyWQSZNWURDTXRGJ-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.70
Rot. Bonds4

About Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate

Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate (PubChem CID 156537969) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound NameEthyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate
PubChem CID156537969
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Nameethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3cc(-c4cccc(C(F)(F)F)c4)ccc3n2)CC1
InChIInChI=1S/C24H23F3N2O2/c1-2-31-23(30)16-10-12-29(13-11-16)22-9-7-19-14-18(6-8-21(19)28-22)17-4-3-5-20(15-17)24(25,26)27/h3-9,14-16H,2,10-13H2,1H3
InChIKeyWQSZNWURDTXRGJ-UHFFFAOYSA-N
XLogP5.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate?
The IUPAC name of Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate (CID 156537969) is ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc3cc(-c4cccc(C(F)(F)F)c4)ccc3n2)CC1.
What is the InChIKey of Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate?
The InChIKey is WQSZNWURDTXRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-2-31-23(30)16-10-12-29(13-11-16)22-9-7-19-14-18(6-8-21(19)28-22)17-4-3-5-20(15-17)24(25,26)27/h3-9,14-16H,2,10-13H2,1H3.
What are the key properties of Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate?
Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate has a molecular weight of 428.45 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 1-[6-[3-(trifluoromethyl)phenyl]quinolin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 156537969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.