1-piperidin-4-ylpent-4-en-1-one

C10H17NO — CID 20735218

IUPAC1-piperidin-4-ylpent-4-en-1-one
SMILESC=CCCC(=O)C1CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h2,9,11H,1,3-8H2
InChIKeyRRAFAJJWQBHNEF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds4

About 1-piperidin-4-ylpent-4-en-1-one

1-piperidin-4-ylpent-4-en-1-one (PubChem CID 20735218) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-piperidin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name1-piperidin-4-ylpent-4-en-1-one
PubChem CID20735218
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-piperidin-4-ylpent-4-en-1-one
SMILESC=CCCC(=O)C1CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h2,9,11H,1,3-8H2
InChIKeyRRAFAJJWQBHNEF-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
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-piperidin-4-ylpent-4-en-1-one?
The IUPAC name of 1-piperidin-4-ylpent-4-en-1-one (CID 20735218) is 1-piperidin-4-ylpent-4-en-1-one.
What is the SMILES notation for 1-piperidin-4-ylpent-4-en-1-one?
The canonical SMILES for 1-piperidin-4-ylpent-4-en-1-one is C=CCCC(=O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpent-4-en-1-one?
The InChIKey is RRAFAJJWQBHNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h2,9,11H,1,3-8H2.
What are the key properties of 1-piperidin-4-ylpent-4-en-1-one?
1-piperidin-4-ylpent-4-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpent-4-en-1-one is sourced from PubChem (CID 20735218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).