2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid

C15H19F2NO3 — CID 65065329

IUPAC2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1ccc(F)cc1F)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H19F2NO3/c1-10(13-3-2-11(16)8-14(13)17)18-6-4-12(5-7-18)21-9-15(19)20/h2-3,8,10,12H,4-7,9H2,1H3,(H,19,20)
InChIKeyDCUOBIRQRFDQLO-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.59
Rot. Bonds5

About 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65065329) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID65065329
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1ccc(F)cc1F)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H19F2NO3/c1-10(13-3-2-11(16)8-14(13)17)18-6-4-12(5-7-18)21-9-15(19)20/h2-3,8,10,12H,4-7,9H2,1H3,(H,19,20)
InChIKeyDCUOBIRQRFDQLO-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65066035
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
1-[4-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxybut-2-ynyl]-4-methylpiperazine
CID 154575633
2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065324
3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
2-[1-[1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606465
2-[1-[(2-cyano-5-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 64763359
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid (CID 65065329) is 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid is CC(c1ccc(F)cc1F)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is DCUOBIRQRFDQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-10(13-3-2-11(16)8-14(13)17)18-6-4-12(5-7-18)21-9-15(19)20/h2-3,8,10,12H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 299.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).