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

C14H17F2NO2 — CID 116825073

IUPAC2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
SMILESCN1CCC(C(C(=O)O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-17-6-4-9(5-7-17)13(14(18)19)11-8-10(15)2-3-12(11)16/h2-3,8-9,13H,4-7H2,1H3,(H,18,19)
InChIKeyQFYGIFOXKXHRKH-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.47
Rot. Bonds3

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

2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid (PubChem CID 116825073) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
PubChem CID116825073
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
SMILESCN1CCC(C(C(=O)O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-17-6-4-9(5-7-17)13(14(18)19)11-8-10(15)2-3-12(11)16/h2-3,8-9,13H,4-7H2,1H3,(H,18,19)
InChIKeyQFYGIFOXKXHRKH-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
CID 175669148
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 142061545
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
CID 65060465
2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838450
tert-butyl 4-[(2,5-difluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 69344572
(2R)-2-(2,5-difluorophenyl)-2-(4-propyl-1,4-diazepan-1-yl)acetic acid
CID 99973199
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
tert-butyl 3-[(2,5-difluorophenyl)-hydroxymethyl]pyrrolidine-1-carboxylate
CID 107092895
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid (CID 116825073) is 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid is CN1CCC(C(C(=O)O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid?
The InChIKey is QFYGIFOXKXHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-17-6-4-9(5-7-17)13(14(18)19)11-8-10(15)2-3-12(11)16/h2-3,8-9,13H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid?
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid has a molecular weight of 269.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 116825073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).