1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone

C12H22N2O — CID 134242581

IUPAC1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC/C=C/CN)CC1
InChIInChI=1S/C12H22N2O/c1-11(15)14-9-6-12(7-10-14)5-3-2-4-8-13/h2,4,12H,3,5-10,13H2,1H3/b4-2+
InChIKeyUTZVGNVZRDUXGA-DUXPYHPUSA-N
MW210.32 g/mol
LogP1.54
Rot. Bonds4

About 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone

1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone (PubChem CID 134242581) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone
PubChem CID134242581
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC/C=C/CN)CC1
InChIInChI=1S/C12H22N2O/c1-11(15)14-9-6-12(7-10-14)5-3-2-4-8-13/h2,4,12H,3,5-10,13H2,1H3/b4-2+
InChIKeyUTZVGNVZRDUXGA-DUXPYHPUSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone (CID 134242581) is 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CC/C=C/CN)CC1.
What is the InChIKey of 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone?
The InChIKey is UTZVGNVZRDUXGA-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(15)14-9-6-12(7-10-14)5-3-2-4-8-13/h2,4,12H,3,5-10,13H2,1H3/b4-2+.
What are the key properties of 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone?
1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134242581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).