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

C10H17NO2 — CID 154463979

IUPAC4-methoxy-1-piperidin-1-ylbut-2-en-1-one
SMILESCOCC=CC(=O)N1CCCCC1
InChIInChI=1S/C10H17NO2/c1-13-9-5-6-10(12)11-7-3-2-4-8-11/h5-6H,2-4,7-9H2,1H3
InChIKeyOFFVXBLVWPRXMP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

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

4-methoxy-1-piperidin-1-ylbut-2-en-1-one (PubChem CID 154463979) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methoxy-1-piperidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-1-piperidin-1-ylbut-2-en-1-one
PubChem CID154463979
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-methoxy-1-piperidin-1-ylbut-2-en-1-one
SMILESCOCC=CC(=O)N1CCCCC1
InChIInChI=1S/C10H17NO2/c1-13-9-5-6-10(12)11-7-3-2-4-8-11/h5-6H,2-4,7-9H2,1H3
InChIKeyOFFVXBLVWPRXMP-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 162736738
(E)-4-methoxy-1-(3-methylpyrrolidin-1-yl)but-2-en-1-one
CID 147392061
(E)-1-(3,4-dimethylpiperazin-1-yl)-4-methoxybut-2-en-1-one
CID 167185900
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
CID 126491189
(2E)-1-piperidin-1-ylhepta-2,6-dien-1-one
CID 90335627
(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
1-(azepan-1-yl)dec-2-en-1-one
CID 66769739
(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one
CID 59559289
(E)-1-piperidin-1-yltridec-2-en-1-one
CID 102388697
butane;(E)-1-piperidin-1-ylbut-2-en-1-one
CID 142213243
(E)-1-(aziridin-1-yl)pent-2-en-1-one
CID 131245090

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-piperidin-1-ylbut-2-en-1-one?
The IUPAC name of 4-methoxy-1-piperidin-1-ylbut-2-en-1-one (CID 154463979) is 4-methoxy-1-piperidin-1-ylbut-2-en-1-one.
What is the SMILES notation for 4-methoxy-1-piperidin-1-ylbut-2-en-1-one?
The canonical SMILES for 4-methoxy-1-piperidin-1-ylbut-2-en-1-one is COCC=CC(=O)N1CCCCC1.
What is the InChIKey of 4-methoxy-1-piperidin-1-ylbut-2-en-1-one?
The InChIKey is OFFVXBLVWPRXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9-5-6-10(12)11-7-3-2-4-8-11/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 4-methoxy-1-piperidin-1-ylbut-2-en-1-one?
4-methoxy-1-piperidin-1-ylbut-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-piperidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 154463979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).