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

C19H21F3N2O2 — CID 2823589

IUPACethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3ccc(C)cc23)CC1
InChIInChI=1S/C19H21F3N2O2/c1-3-26-18(25)13-6-8-24(9-7-13)16-11-17(19(20,21)22)23-15-5-4-12(2)10-14(15)16/h4-5,10-11,13H,3,6-9H2,1-2H3
InChIKeyACUJBLMKKJFYPB-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.34
Rot. Bonds3

About ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate

ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate (PubChem CID 2823589) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
PubChem CID2823589
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Nameethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3ccc(C)cc23)CC1
InChIInChI=1S/C19H21F3N2O2/c1-3-26-18(25)13-6-8-24(9-7-13)16-11-17(19(20,21)22)23-15-5-4-12(2)10-14(15)16/h4-5,10-11,13H,3,6-9H2,1-2H3
InChIKeyACUJBLMKKJFYPB-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate (CID 2823589) is ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3ccc(C)cc23)CC1.
What is the InChIKey of ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
The InChIKey is ACUJBLMKKJFYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-3-26-18(25)13-6-8-24(9-7-13)16-11-17(19(20,21)22)23-15-5-4-12(2)10-14(15)16/h4-5,10-11,13H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-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-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2823589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).