2-(1-methylpiperidin-4-yl)oxyacetic acid

C8H15NO3 — CID 20719673

IUPAC2-(1-methylpiperidin-4-yl)oxyacetic acid
SMILESCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-9-4-2-7(3-5-9)12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBTWUCJHAVODJLC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)oxyacetic acid

2-(1-methylpiperidin-4-yl)oxyacetic acid (PubChem CID 20719673) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxyacetic acid
PubChem CID20719673
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(1-methylpiperidin-4-yl)oxyacetic acid
SMILESCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-9-4-2-7(3-5-9)12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBTWUCJHAVODJLC-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxyacetic acid (CID 20719673) is 2-(1-methylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxyacetic acid is CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxyacetic acid?
The InChIKey is BTWUCJHAVODJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-4-2-7(3-5-9)12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(1-methylpiperidin-4-yl)oxyacetic acid?
2-(1-methylpiperidin-4-yl)oxyacetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 20719673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).