1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid

C16H21F2NO2 — CID 65068630

IUPAC1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(C)c2cc(F)ccc2F)C1
InChIInChI=1S/C16H21F2NO2/c1-3-16(15(20)21)7-4-8-19(10-16)11(2)13-9-12(17)5-6-14(13)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCWGRJJCUJFGKLL-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.60
Rot. Bonds4

About 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid

1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 65068630) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID65068630
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(C)c2cc(F)ccc2F)C1
InChIInChI=1S/C16H21F2NO2/c1-3-16(15(20)21)7-4-8-19(10-16)11(2)13-9-12(17)5-6-14(13)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCWGRJJCUJFGKLL-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid 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

1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068924
1-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068446
3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064332
1-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 82778233
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137342
1-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 114083038
1-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65063744
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 102616840
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
3-ethyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063989

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid (CID 65068630) is 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(C)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is CWGRJJCUJFGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-3-16(15(20)21)7-4-8-19(10-16)11(2)13-9-12(17)5-6-14(13)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid?
1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).