methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate

C16H23FN2O2 — CID 79044565

IUPACmethyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
SMILESCCN1CCC(Nc2cc(C)cc(F)c2)(C(=O)OC)CC1
InChIInChI=1S/C16H23FN2O2/c1-4-19-7-5-16(6-8-19,15(20)21-3)18-14-10-12(2)9-13(17)11-14/h9-11,18H,4-8H2,1-3H3
InChIKeyBEHCGJBOUPXCDN-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.57
Rot. Bonds4

About methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate

methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate (PubChem CID 79044565) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
PubChem CID79044565
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namemethyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
SMILESCCN1CCC(Nc2cc(C)cc(F)c2)(C(=O)OC)CC1
InChIInChI=1S/C16H23FN2O2/c1-4-19-7-5-16(6-8-19,15(20)21-3)18-14-10-12(2)9-13(17)11-14/h9-11,18H,4-8H2,1-3H3
InChIKeyBEHCGJBOUPXCDN-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-ethyl-4-(3-fluoro-5-methylanilino)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 methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate (CID 79044565) is methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate is CCN1CCC(Nc2cc(C)cc(F)c2)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate?
The InChIKey is BEHCGJBOUPXCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-19-7-5-16(6-8-19,15(20)21-3)18-14-10-12(2)9-13(17)11-14/h9-11,18H,4-8H2,1-3H3.
What are the key properties of methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate?
methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 79044565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).