(1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate

C12H19NO6 — CID 18797093

IUPAC(1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate
SMILESCC(=O)OCC1CN(C(C)=O)CC(O)C1OC(C)=O
InChIInChI=1S/C12H19NO6/c1-7(14)13-4-10(6-18-8(2)15)12(11(17)5-13)19-9(3)16/h10-12,17H,4-6H2,1-3H3
InChIKeyHCGGBMSUDYPRDI-UHFFFAOYSA-N
MW273.28 g/mol
LogP-0.68
Rot. Bonds3

About (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate

(1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate (PubChem CID 18797093) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate.

Molecular Properties

Compound Name(1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate
PubChem CID18797093
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name(1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate
SMILESCC(=O)OCC1CN(C(C)=O)CC(O)C1OC(C)=O
InChIInChI=1S/C12H19NO6/c1-7(14)13-4-10(6-18-8(2)15)12(11(17)5-13)19-9(3)16/h10-12,17H,4-6H2,1-3H3
InChIKeyHCGGBMSUDYPRDI-UHFFFAOYSA-N
XLogP-0.68
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate?
The IUPAC name of (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate (CID 18797093) is (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate.
What is the SMILES notation for (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate?
The canonical SMILES for (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate is CC(=O)OCC1CN(C(C)=O)CC(O)C1OC(C)=O.
What is the InChIKey of (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate?
The InChIKey is HCGGBMSUDYPRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-7(14)13-4-10(6-18-8(2)15)12(11(17)5-13)19-9(3)16/h10-12,17H,4-6H2,1-3H3.
What are the key properties of (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate?
(1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate has a molecular weight of 273.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-4-acetyloxy-5-hydroxypiperidin-3-yl)methyl acetate is sourced from PubChem (CID 18797093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).