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

C24H23F3N2O2 — CID 156537969

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

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Related Compounds

ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
CID 156801017
ethyl 1-[6-(1-benzothiophen-2-yl)quinolin-2-yl]piperidine-4-carboxylate
CID 156558103
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
ethyl 1-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]piperidine-3-carboxylate
CID 58874811
ethyl 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxylate
CID 55486767
ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-[2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperidine-4-carboxylate
CID 134799350
ethyl 1-[8-(3-nitrophenyl)quinolin-2-yl]piperidine-4-carboxylate
CID 174215170
ethyl 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]piperidine-3-carboxylate
CID 71086529
ethyl 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]benzoate
CID 9228267
ethyl 1-[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 134799912

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).