1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid

C15H19F2NO2 — CID 63137342

IUPAC1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-2-15(14(19)20)6-3-7-18(10-15)9-11-4-5-12(16)8-13(11)17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,19,20)
InChIKeyBKTHZGXVDZDRAC-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.04
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid

1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63137342) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63137342
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-2-15(14(19)20)6-3-7-18(10-15)9-11-4-5-12(16)8-13(11)17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,19,20)
InChIKeyBKTHZGXVDZDRAC-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-difluorophenyl)methyl]-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

3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 102877482
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 102616840
1-[(2-bromo-5-chlorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 66155501
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137125
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
3-ethyl-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65069026
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137008
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-[(2,4-dichlorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140602
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068630
1-[[3-(difluoromethyl)phenyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 115529620

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid (CID 63137342) is 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is BKTHZGXVDZDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-15(14(19)20)6-3-7-18(10-15)9-11-4-5-12(16)8-13(11)17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).