1-(2,5-difluorophenyl)piperidine-3-carboxylic acid

C12H13F2NO2 — CID 82537830

IUPAC1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(F)ccc2F)C1
InChIInChI=1S/C12H13F2NO2/c13-9-3-4-10(14)11(6-9)15-5-1-2-8(7-15)12(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)
InChIKeyAUZRRLYDNJASMI-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.27
Rot. Bonds2

About 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid

1-(2,5-difluorophenyl)piperidine-3-carboxylic acid (PubChem CID 82537830) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
PubChem CID82537830
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(F)ccc2F)C1
InChIInChI=1S/C12H13F2NO2/c13-9-3-4-10(14)11(6-9)15-5-1-2-8(7-15)12(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)
InChIKeyAUZRRLYDNJASMI-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048
1-[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]piperidine-3-carboxylic acid
CID 84753266
1-(2,5-difluorophenyl)piperidine
CID 22638080
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
CID 103499981
(3S)-1-[3-(2,5-difluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173536
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid (CID 82537830) is 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid?
The InChIKey is AUZRRLYDNJASMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-3-4-10(14)11(6-9)15-5-1-2-8(7-15)12(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17).
What are the key properties of 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid?
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82537830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).