[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate

C9H15NO4 — CID 59640733

IUPAC[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate
SMILESCC(=O)O[C@H]1CCNC[C@@H]1OC(C)=O
InChIInChI=1S/C9H15NO4/c1-6(11)13-8-3-4-10-5-9(8)14-7(2)12/h8-10H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyOAQKTFXFHILWGQ-IUCAKERBSA-N
MW201.22 g/mol
LogP-0.16
Rot. Bonds2

About [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate

[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate (PubChem CID 59640733) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate.

Molecular Properties

Compound Name[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate
PubChem CID59640733
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate
SMILESCC(=O)O[C@H]1CCNC[C@@H]1OC(C)=O
InChIInChI=1S/C9H15NO4/c1-6(11)13-8-3-4-10-5-9(8)14-7(2)12/h8-10H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyOAQKTFXFHILWGQ-IUCAKERBSA-N
XLogP-0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate?
The IUPAC name of [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate (CID 59640733) is [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate.
What is the SMILES notation for [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate?
The canonical SMILES for [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate is CC(=O)O[C@H]1CCNC[C@@H]1OC(C)=O.
What is the InChIKey of [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate?
The InChIKey is OAQKTFXFHILWGQ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)13-8-3-4-10-5-9(8)14-7(2)12/h8-10H,3-5H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate?
[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate has a molecular weight of 201.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-acetyloxypiperidin-4-yl] acetate is sourced from PubChem (CID 59640733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).