4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid

C13H15F2NO2 — CID 55178571

IUPAC4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2cc(F)ccc2F)CCNCC1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-11(15)9(7-10)8-13(12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2,(H,17,18)
InChIKeyUVKPQYHLVMCTNK-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.96
Rot. Bonds3

About 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid

4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 55178571) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID55178571
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2cc(F)ccc2F)CCNCC1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-11(15)9(7-10)8-13(12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2,(H,17,18)
InChIKeyUVKPQYHLVMCTNK-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65195023
4-[(5-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178564
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
4-benzylpiperidine-4-carboxylic acid
CID 18365178
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65394534
1-[(5-fluoro-2-nitrophenyl)methyl]cyclohexane-1-carboxylic acid
CID 62739549
1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65407201
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 102621060
1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63377776
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid (CID 55178571) is 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1(Cc2cc(F)ccc2F)CCNCC1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is UVKPQYHLVMCTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-1-2-11(15)9(7-10)8-13(12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2,(H,17,18).
What are the key properties of 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid?
4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 255.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55178571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).