1-piperidin-4-ylbut-3-en-2-one

C9H15NO — CID 116559893

IUPAC1-piperidin-4-ylbut-3-en-2-one
SMILESC=CC(=O)CC1CCNCC1
InChIInChI=1S/C9H15NO/c1-2-9(11)7-8-3-5-10-6-4-8/h2,8,10H,1,3-7H2
InChIKeyFNYPPBLHLFYHLT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds3

About 1-piperidin-4-ylbut-3-en-2-one

1-piperidin-4-ylbut-3-en-2-one (PubChem CID 116559893) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-piperidin-4-ylbut-3-en-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylbut-3-en-2-one
PubChem CID116559893
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-piperidin-4-ylbut-3-en-2-one
SMILESC=CC(=O)CC1CCNCC1
InChIInChI=1S/C9H15NO/c1-2-9(11)7-8-3-5-10-6-4-8/h2,8,10H,1,3-7H2
InChIKeyFNYPPBLHLFYHLT-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropylbut-3-en-2-one
CID 66652503
1-(8-azabicyclo[3.2.1]octan-3-yl)but-3-en-2-one
CID 116588306
1-(azepan-4-yl)-4-methylpent-3-en-2-one
CID 123675282
1-piperidin-4-ylpent-4-yn-2-one
CID 116559802
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
2-piperidin-4-ylacetaldehyde
CID 23401441
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
2-piperidin-4-yl-N-prop-2-ynylacetamide
CID 61028682
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
1-piperidin-4-ylhexan-2-one
CID 116559845
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylbut-3-en-2-one?
The IUPAC name of 1-piperidin-4-ylbut-3-en-2-one (CID 116559893) is 1-piperidin-4-ylbut-3-en-2-one.
What is the SMILES notation for 1-piperidin-4-ylbut-3-en-2-one?
The canonical SMILES for 1-piperidin-4-ylbut-3-en-2-one is C=CC(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylbut-3-en-2-one?
The InChIKey is FNYPPBLHLFYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(11)7-8-3-5-10-6-4-8/h2,8,10H,1,3-7H2.
What are the key properties of 1-piperidin-4-ylbut-3-en-2-one?
1-piperidin-4-ylbut-3-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylbut-3-en-2-one is sourced from PubChem (CID 116559893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).