2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid

C10H17NO5 — CID 152664837

IUPAC2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
SMILESCC(=O)OCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-8(12)16-7-11-4-2-9(3-5-11)15-6-10(13)14/h9H,2-7H2,1H3,(H,13,14)
InChIKeyZKHHZGYYRGVAJO-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.07
Rot. Bonds5

About 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid

2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid (PubChem CID 152664837) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
PubChem CID152664837
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
SMILESCC(=O)OCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-8(12)16-7-11-4-2-9(3-5-11)15-6-10(13)14/h9H,2-7H2,1H3,(H,13,14)
InChIKeyZKHHZGYYRGVAJO-UHFFFAOYSA-N
XLogP0.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
(4-ethenylpiperidin-1-yl)methyl acetate
CID 54261484
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 112590618
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid (CID 152664837) is 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid is CC(=O)OCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ZKHHZGYYRGVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-8(12)16-7-11-4-2-9(3-5-11)15-6-10(13)14/h9H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid?
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 231.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 152664837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).