ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate

C19H21F3N2O2 — CID 23477113

IUPACethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C)nc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C19H21F3N2O2/c1-3-26-18(25)13-5-4-8-24(11-13)17-9-12(2)23-16-10-14(19(20,21)22)6-7-15(16)17/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKeyPLJZKPYXRUCACS-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.34
Rot. Bonds3

About ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate

ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate (PubChem CID 23477113) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
PubChem CID23477113
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Nameethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C)nc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C19H21F3N2O2/c1-3-26-18(25)13-5-4-8-24(11-13)17-9-12(2)23-16-10-14(19(20,21)22)6-7-15(16)17/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKeyPLJZKPYXRUCACS-UHFFFAOYSA-N
XLogP4.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate 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

1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
ethyl (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 40649668
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-2-carboxylic acid
CID 23477096
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 155199367
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
ethyl (3S)-1-[2-[(2-aminoimidazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 140907725
ethyl 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 56731130
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate (CID 23477113) is ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(C)nc3cc(C(F)(F)F)ccc23)C1.
What is the InChIKey of ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate?
The InChIKey is PLJZKPYXRUCACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-3-26-18(25)13-5-4-8-24(11-13)17-9-12(2)23-16-10-14(19(20,21)22)6-7-15(16)17/h6-7,9-10,13H,3-5,8,11H2,1-2H3.
What are the key properties of ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate?
ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 23477113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).