2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid

C14H17F2NO2 — CID 84747093

IUPAC2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
SMILESCC1CCN(C(C(=O)O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-9-4-6-17(7-5-9)13(14(18)19)11-3-2-10(15)8-12(11)16/h2-3,8-9,13H,4-7H2,1H3,(H,18,19)
InChIKeyCPIWYLNAPSLAIP-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.82
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid

2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid (PubChem CID 84747093) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
PubChem CID84747093
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
SMILESCC1CCN(C(C(=O)O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-9-4-6-17(7-5-9)13(14(18)19)11-3-2-10(15)8-12(11)16/h2-3,8-9,13H,4-7H2,1H3,(H,18,19)
InChIKeyCPIWYLNAPSLAIP-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid
CID 84747087
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756935
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
CID 116860455
2-(4-fluoro-2-methoxyphenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid
CID 72934013
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
2-(2-chloro-4-fluorophenyl)-2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]acetic acid
CID 167862488
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065329

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid (CID 84747093) is 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid is CC1CCN(C(C(=O)O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
The InChIKey is CPIWYLNAPSLAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9-4-6-17(7-5-9)13(14(18)19)11-3-2-10(15)8-12(11)16/h2-3,8-9,13H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid?
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid has a molecular weight of 269.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 84747093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).