piperidin-3-yl acetate

C7H13NO2 — CID 21490229

IUPACpiperidin-3-yl acetate
SMILESCC(=O)OC1CCCNC1
InChIInChI=1S/C7H13NO2/c1-6(9)10-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3
InChIKeyXEANSFYKBWJPTR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

About piperidin-3-yl acetate

piperidin-3-yl acetate (PubChem CID 21490229) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is piperidin-3-yl acetate.

Molecular Properties

Compound Namepiperidin-3-yl acetate
PubChem CID21490229
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepiperidin-3-yl acetate
SMILESCC(=O)OC1CCCNC1
InChIInChI=1S/C7H13NO2/c1-6(9)10-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3
InChIKeyXEANSFYKBWJPTR-UHFFFAOYSA-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 piperidin-3-yl acetate?
The IUPAC name of piperidin-3-yl acetate (CID 21490229) is piperidin-3-yl acetate.
What is the SMILES notation for piperidin-3-yl acetate?
The canonical SMILES for piperidin-3-yl acetate is CC(=O)OC1CCCNC1.
What is the InChIKey of piperidin-3-yl acetate?
The InChIKey is XEANSFYKBWJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)10-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3.
What are the key properties of piperidin-3-yl acetate?
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 piperidin-3-yl acetate is sourced from PubChem (CID 21490229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).