ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate

C18H21FN2O2 — CID 175990361

IUPACethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(c2ccc3cccc(C)c3n2)CC1
InChIInChI=1S/C18H21FN2O2/c1-3-23-17(22)18(19)9-11-21(12-10-18)15-8-7-14-6-4-5-13(2)16(14)20-15/h4-8H,3,9-12H2,1-2H3
InChIKeyOLRVGTUQOCFDHQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.41
Rot. Bonds3

About ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate

ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate (PubChem CID 175990361) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate
PubChem CID175990361
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Nameethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(c2ccc3cccc(C)c3n2)CC1
InChIInChI=1S/C18H21FN2O2/c1-3-23-17(22)18(19)9-11-21(12-10-18)15-8-7-14-6-4-5-13(2)16(14)20-15/h4-8H,3,9-12H2,1-2H3
InChIKeyOLRVGTUQOCFDHQ-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-fluoro-1-(8-methylquinolin-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 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate (CID 175990361) is ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1(F)CCN(c2ccc3cccc(C)c3n2)CC1.
What is the InChIKey of ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate?
The InChIKey is OLRVGTUQOCFDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-23-17(22)18(19)9-11-21(12-10-18)15-8-7-14-6-4-5-13(2)16(14)20-15/h4-8H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate?
ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-(8-methylquinolin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 175990361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).