2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid

C16H20FNO3 — CID 83059895

IUPAC2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C2CCc3c(F)cccc32)CC1
InChIInChI=1S/C16H20FNO3/c17-14-3-1-2-13-12(14)4-5-15(13)18-8-6-11(7-9-18)21-10-16(19)20/h1-3,11,15H,4-10H2,(H,19,20)
InChIKeyXLAXPOLDPXOSPC-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.38
Rot. Bonds4

About 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid

2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 83059895) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid
PubChem CID83059895
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C2CCc3c(F)cccc32)CC1
InChIInChI=1S/C16H20FNO3/c17-14-3-1-2-13-12(14)4-5-15(13)18-8-6-11(7-9-18)21-10-16(19)20/h1-3,11,15H,4-10H2,(H,19,20)
InChIKeyXLAXPOLDPXOSPC-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpyrrolidin-3-amine
CID 81494069
2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407530
(3S)-3-[4-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]thiolane 1,1-dioxide
CID 97339101
2-[1-[2-(N-benzoylanilino)ethyl]piperidin-4-yl]oxyacetic acid
CID 127029416
1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(4-nitrophenyl)piperazine
CID 95786387
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065469
ethyl 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperazine-2-carboxylate
CID 83059443
ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate
CID 107877861
2-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 81441772
1-(4-ethylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82986053
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid (CID 83059895) is 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C2CCc3c(F)cccc32)CC1.
What is the InChIKey of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is XLAXPOLDPXOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-14-3-1-2-13-12(14)4-5-15(13)18-8-6-11(7-9-18)21-10-16(19)20/h1-3,11,15H,4-10H2,(H,19,20).
What are the key properties of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 83059895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).