2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid

C8H14FNO3 — CID 134533993

IUPAC2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid
SMILESCN1CC(F)CC(OCC(=O)O)C1
InChIInChI=1S/C8H14FNO3/c1-10-3-6(9)2-7(4-10)13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyKUCBCFQEMAZMDI-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.13
Rot. Bonds3

About 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid

2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid (PubChem CID 134533993) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid
PubChem CID134533993
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid
SMILESCN1CC(F)CC(OCC(=O)O)C1
InChIInChI=1S/C8H14FNO3/c1-10-3-6(9)2-7(4-10)13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyKUCBCFQEMAZMDI-UHFFFAOYSA-N
XLogP0.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid (CID 134533993) is 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid is CN1CC(F)CC(OCC(=O)O)C1.
What is the InChIKey of 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid?
The InChIKey is KUCBCFQEMAZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-10-3-6(9)2-7(4-10)13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid?
2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid has a molecular weight of 191.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylpiperidin-3-yl)oxyacetic acid is sourced from PubChem (CID 134533993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).