ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate

C15H20FNO2 — CID 10978362

IUPACethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CCC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)14-10-17(2)9-8-13(14)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyZMYMNHYUAMDTSC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate

ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate (PubChem CID 10978362) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
PubChem CID10978362
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CCC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)14-10-17(2)9-8-13(14)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyZMYMNHYUAMDTSC-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-fluorophenyl)-1-methylpiperidine-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

ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
CID 171400750
5-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]oxypentyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10076847
ethyl (3R,4R)-1-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(4-fluorophenyl)piperidine-3-carboxylate
CID 118857807
ethyl 4-(4-fluorophenyl)-1-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 3732923
ethyl 4-(4-bromo-3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 59454260
ethyl 4-(2,6-difluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162418
ethyl (3S)-1-methyl-3-(trifluoromethyl)piperidine-4-carboxylate
CID 163219476
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3S,4R)-4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 101250506
1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
methyl (3R,4S)-4-(4-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11100300
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 22649568
ethyl 4-(4-bromophenyl)-1-(2-fluoroethyl)pyrrolidine-3-carboxylate
CID 59454193

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate (CID 10978362) is ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate is CCOC(=O)C1CN(C)CCC1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate?
The InChIKey is ZMYMNHYUAMDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-15(18)14-10-17(2)9-8-13(14)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 10978362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).