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

C11H19NO — CID 23382758

IUPAC4-methyl-1-piperidin-1-ylpent-4-en-1-one
SMILESC=C(C)CCC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h1,3-9H2,2H3
InChIKeyTYXKZSVPVSSPMF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.36
Rot. Bonds3

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

4-methyl-1-piperidin-1-ylpent-4-en-1-one (PubChem CID 23382758) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-1-piperidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-piperidin-1-ylpent-4-en-1-one
PubChem CID23382758
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methyl-1-piperidin-1-ylpent-4-en-1-one
SMILESC=C(C)CCC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h1,3-9H2,2H3
InChIKeyTYXKZSVPVSSPMF-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-methylidenepiperidin-2-one
CID 10486852
5-Hexenamide, N,N-diethyl-
CID 12249872
1-(Piperidin-1-yl)hex-5-en-1-one
CID 13839438
1-(4-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 89385966
2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide
CID 166658656
1-(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)piperidin-2-one
CID 53440419
1-(3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraenyl)piperidin-2-one
CID 69590412
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
CID 11385532
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one
CID 10608067
Piperidine, 1-(2-fluoro-3-methyl-1-oxo-4-pentenyl)-, (R*,S*)-
CID 10798060
(2R,3R)-2-Fluoro-3-methyl-1-(piperidin-1-yl)pent-4-en-1-one
CID 45080931

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-1-ylpent-4-en-1-one?
The IUPAC name of 4-methyl-1-piperidin-1-ylpent-4-en-1-one (CID 23382758) is 4-methyl-1-piperidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-piperidin-1-ylpent-4-en-1-one?
The canonical SMILES for 4-methyl-1-piperidin-1-ylpent-4-en-1-one is C=C(C)CCC(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-1-piperidin-1-ylpent-4-en-1-one?
The InChIKey is TYXKZSVPVSSPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h1,3-9H2,2H3.
What are the key properties of 4-methyl-1-piperidin-1-ylpent-4-en-1-one?
4-methyl-1-piperidin-1-ylpent-4-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 23382758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).