1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone

C11H19NO — CID 592457

IUPAC1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone
SMILESC=CCC1CCCC(C)N1C(C)=O
InChIInChI=1S/C11H19NO/c1-4-6-11-8-5-7-9(2)12(11)10(3)13/h4,9,11H,1,5-8H2,2-3H3
InChIKeyIHOJXRHGXSDFBD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.35
Rot. Bonds2

About 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone

1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone (PubChem CID 592457) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone
PubChem CID592457
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone
SMILESC=CCC1CCCC(C)N1C(C)=O
InChIInChI=1S/C11H19NO/c1-4-6-11-8-5-7-9(2)12(11)10(3)13/h4,9,11H,1,5-8H2,2-3H3
InChIKeyIHOJXRHGXSDFBD-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.35
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

2-Ethyl-1-undec-10-enoyl-piperidine
CID 44890638
N-acetyl-cis-2,5-diallylpyrrolidine
CID 129802387
1-[2,2-Bis(prop-2-enyl)piperidin-1-yl]ethanone
CID 12115256
Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
(E)-1-(2-ethenylpiperidin-1-yl)but-2-en-1-one
CID 131245173
1-(4-Pent-4-enylpiperidin-1-yl)ethanone
CID 162403313
1-(Piperidin-1-yl)deca-3,4-dien-1-one
CID 21634280
1-(Piperidin-1-yl)tetradeca-3,4-dien-1-one
CID 21634282
1-Butyl-6-prop-2-enylpiperidin-2-one
CID 86109717
Piperidine, 1-acetyl-2-ethenyl-(9CI)
CID 10654429
Piperidine, 1-acetyl-2-(2-propenyl)-
CID 11116438
1-(2-Propylpiperidin-1-yl)prop-2-en-1-one
CID 17805891

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone (CID 592457) is 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone is C=CCC1CCCC(C)N1C(C)=O.
What is the InChIKey of 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone?
The InChIKey is IHOJXRHGXSDFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-11-8-5-7-9(2)12(11)10(3)13/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone?
1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-prop-2-enylpiperidin-1-yl)ethanone is sourced from PubChem (CID 592457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).