2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid

C9H15F2NO3 — CID 166828234

IUPAC2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid
SMILESCCN1CC(F)C(OCC(=O)O)C(F)C1
InChIInChI=1S/C9H15F2NO3/c1-2-12-3-6(10)9(7(11)4-12)15-5-8(13)14/h6-7,9H,2-5H2,1H3,(H,13,14)
InChIKeyNFGXJRXSTSLTQV-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.47
Rot. Bonds4

About 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid

2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid (PubChem CID 166828234) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid
PubChem CID166828234
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid
SMILESCCN1CC(F)C(OCC(=O)O)C(F)C1
InChIInChI=1S/C9H15F2NO3/c1-2-12-3-6(10)9(7(11)4-12)15-5-8(13)14/h6-7,9H,2-5H2,1H3,(H,13,14)
InChIKeyNFGXJRXSTSLTQV-UHFFFAOYSA-N
XLogP0.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-Methylpiperidin-4-yl)oxy]acetic acid hydrochloride
CID 122236319
2-((1-Methylpiperidin-4-yl)oxy)acetic acid
CID 20719673
2-Piperidin-4-yloxyacetic acid;2,2,2-trifluoroacetic acid
CID 85673986
2-(3,5-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134533988
2-(5-Fluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134533993
2-(3-Fluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534000
2-(3,3,5,5-Tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 134534001
2-(3,3-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534012
2-(5,5-Difluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134534013
2-(3,5-Difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 139341808
2-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 139341811
2-(1-Ethyl-5,5-difluoropiperidin-3-yl)oxyacetic acid
CID 139341883

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid (CID 166828234) is 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid is CCN1CC(F)C(OCC(=O)O)C(F)C1.
What is the InChIKey of 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid?
The InChIKey is NFGXJRXSTSLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-2-12-3-6(10)9(7(11)4-12)15-5-8(13)14/h6-7,9H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid?
2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid has a molecular weight of 223.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 166828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).