2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid

C15H19F2NO2 — CID 84747087

IUPAC2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid
SMILESCC1CC(C)CN(C(C(=O)O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-9-5-10(2)8-18(7-9)14(15(19)20)12-4-3-11(16)6-13(12)17/h3-4,6,9-10,14H,5,7-8H2,1-2H3,(H,19,20)
InChIKeyMZICAIHKAKNNAN-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.07
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid

2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid (PubChem CID 84747087) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid
PubChem CID84747087
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid
SMILESCC1CC(C)CN(C(C(=O)O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-9-5-10(2)8-18(7-9)14(15(19)20)12-4-3-11(16)6-13(12)17/h3-4,6,9-10,14H,5,7-8H2,1-2H3,(H,19,20)
InChIKeyMZICAIHKAKNNAN-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 84747093
2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756687
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
CID 168698885
2-[(3aS,5S,7aR)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(4-fluoro-2-methylphenyl)acetic acid
CID 166267361
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
CID 116860455
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid (CID 84747087) is 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid is CC1CC(C)CN(C(C(=O)O)c2ccc(F)cc2F)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid?
The InChIKey is MZICAIHKAKNNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9-5-10(2)8-18(7-9)14(15(19)20)12-4-3-11(16)6-13(12)17/h3-4,6,9-10,14H,5,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid?
2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid has a molecular weight of 283.32 g/mol, XLogP of 3.07, 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-(3,5-dimethylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 84747087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).