1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid

C13H15F2NO2 — CID 65054001

IUPAC1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2NO2/c14-10-4-3-5-11(15)9(10)8-16-7-2-1-6-12(16)13(17)18/h3-5,12H,1-2,6-8H2,(H,17,18)
InChIKeyCUYFOVOMDIUECN-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.40
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid

1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 65054001) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID65054001
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2NO2/c14-10-4-3-5-11(15)9(10)8-16-7-2-1-6-12(16)13(17)18/h3-5,12H,1-2,6-8H2,(H,17,18)
InChIKeyCUYFOVOMDIUECN-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[2-(2-chloro-6-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750840
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid (CID 65054001) is 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is CUYFOVOMDIUECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-4-3-5-11(15)9(10)8-16-7-2-1-6-12(16)13(17)18/h3-5,12H,1-2,6-8H2,(H,17,18).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 255.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 65054001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).