1-piperidin-4-yloxypent-4-en-2-one

C10H17NO2 — CID 116570964

IUPAC1-piperidin-4-yloxypent-4-en-2-one
SMILESC=CCC(=O)COC1CCNCC1
InChIInChI=1S/C10H17NO2/c1-2-3-9(12)8-13-10-4-6-11-7-5-10/h2,10-11H,1,3-8H2
InChIKeyXADRANDLAVCMHA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.90
Rot. Bonds5

About 1-piperidin-4-yloxypent-4-en-2-one

1-piperidin-4-yloxypent-4-en-2-one (PubChem CID 116570964) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-piperidin-4-yloxypent-4-en-2-one.

Molecular Properties

Compound Name1-piperidin-4-yloxypent-4-en-2-one
PubChem CID116570964
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-piperidin-4-yloxypent-4-en-2-one
SMILESC=CCC(=O)COC1CCNCC1
InChIInChI=1S/C10H17NO2/c1-2-3-9(12)8-13-10-4-6-11-7-5-10/h2,10-11H,1,3-8H2
InChIKeyXADRANDLAVCMHA-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 1-piperidin-4-yloxypent-4-en-2-one?
The IUPAC name of 1-piperidin-4-yloxypent-4-en-2-one (CID 116570964) is 1-piperidin-4-yloxypent-4-en-2-one.
What is the SMILES notation for 1-piperidin-4-yloxypent-4-en-2-one?
The canonical SMILES for 1-piperidin-4-yloxypent-4-en-2-one is C=CCC(=O)COC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yloxypent-4-en-2-one?
The InChIKey is XADRANDLAVCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-9(12)8-13-10-4-6-11-7-5-10/h2,10-11H,1,3-8H2.
What are the key properties of 1-piperidin-4-yloxypent-4-en-2-one?
1-piperidin-4-yloxypent-4-en-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yloxypent-4-en-2-one is sourced from PubChem (CID 116570964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).