[(3R)-piperidin-3-yl] acetate

C7H13NO2 — CID 15181869

IUPAC[(3R)-piperidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCNC1
InChIInChI=1S/C7H13NO2/c1-6(9)10-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyXEANSFYKBWJPTR-SSDOTTSWSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

About [(3R)-piperidin-3-yl] acetate

[(3R)-piperidin-3-yl] acetate (PubChem CID 15181869) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl] acetate
PubChem CID15181869
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(3R)-piperidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCNC1
InChIInChI=1S/C7H13NO2/c1-6(9)10-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyXEANSFYKBWJPTR-SSDOTTSWSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl] acetate?
The IUPAC name of [(3R)-piperidin-3-yl] acetate (CID 15181869) is [(3R)-piperidin-3-yl] acetate.
What is the SMILES notation for [(3R)-piperidin-3-yl] acetate?
The canonical SMILES for [(3R)-piperidin-3-yl] acetate is CC(=O)O[C@@H]1CCCNC1.
What is the InChIKey of [(3R)-piperidin-3-yl] acetate?
The InChIKey is XEANSFYKBWJPTR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)10-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl] acetate?
[(3R)-piperidin-3-yl] acetate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl] acetate is sourced from PubChem (CID 15181869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).