(1-acetylpiperidin-4-yl) acetate

C9H15NO3 — CID 20644464

IUPAC(1-acetylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C(C)=O)CC1
InChIInChI=1S/C9H15NO3/c1-7(11)10-5-3-9(4-6-10)13-8(2)12/h9H,3-6H2,1-2H3
InChIKeyLEWUBPMRVABOOC-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds1

About (1-acetylpiperidin-4-yl) acetate

(1-acetylpiperidin-4-yl) acetate (PubChem CID 20644464) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl) acetate
PubChem CID20644464
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(1-acetylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C(C)=O)CC1
InChIInChI=1S/C9H15NO3/c1-7(11)10-5-3-9(4-6-10)13-8(2)12/h9H,3-6H2,1-2H3
InChIKeyLEWUBPMRVABOOC-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl) acetate?
The IUPAC name of (1-acetylpiperidin-4-yl) acetate (CID 20644464) is (1-acetylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-acetylpiperidin-4-yl) acetate?
The canonical SMILES for (1-acetylpiperidin-4-yl) acetate is CC(=O)OC1CCN(C(C)=O)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl) acetate?
The InChIKey is LEWUBPMRVABOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(11)10-5-3-9(4-6-10)13-8(2)12/h9H,3-6H2,1-2H3.
What are the key properties of (1-acetylpiperidin-4-yl) acetate?
(1-acetylpiperidin-4-yl) acetate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl) acetate is sourced from PubChem (CID 20644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).