(4-piperidin-1-ylcyclopent-2-en-1-yl) acetate

C12H19NO2 — CID 68524236

IUPAC(4-piperidin-1-ylcyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(N2CCCCC2)C1
InChIInChI=1S/C12H19NO2/c1-10(14)15-12-6-5-11(9-12)13-7-3-2-4-8-13/h5-6,11-12H,2-4,7-9H2,1H3
InChIKeyNTVUDRDUFYHGFG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds2

About (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate

(4-piperidin-1-ylcyclopent-2-en-1-yl) acetate (PubChem CID 68524236) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(4-piperidin-1-ylcyclopent-2-en-1-yl) acetate
PubChem CID68524236
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4-piperidin-1-ylcyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(N2CCCCC2)C1
InChIInChI=1S/C12H19NO2/c1-10(14)15-12-6-5-11(9-12)13-7-3-2-4-8-13/h5-6,11-12H,2-4,7-9H2,1H3
InChIKeyNTVUDRDUFYHGFG-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate (CID 68524236) is (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate is CC(=O)OC1C=CC(N2CCCCC2)C1.
What is the InChIKey of (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate?
The InChIKey is NTVUDRDUFYHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(14)15-12-6-5-11(9-12)13-7-3-2-4-8-13/h5-6,11-12H,2-4,7-9H2,1H3.
What are the key properties of (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate?
(4-piperidin-1-ylcyclopent-2-en-1-yl) acetate has a molecular weight of 209.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 68524236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).