1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone

C11H19NO — CID 20798296

IUPAC1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone
SMILESC=CCC1(C(C)=O)CCN(C)CC1
InChIInChI=1S/C11H19NO/c1-4-5-11(10(2)13)6-8-12(3)9-7-11/h4H,1,5-9H2,2-3H3
InChIKeyLAAIRHIOWUDEBG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone

1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone (PubChem CID 20798296) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone
PubChem CID20798296
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone
SMILESC=CCC1(C(C)=O)CCN(C)CC1
InChIInChI=1S/C11H19NO/c1-4-5-11(10(2)13)6-8-12(3)9-7-11/h4H,1,5-9H2,2-3H3
InChIKeyLAAIRHIOWUDEBG-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Allyl-1-methyl-4-piperidone
CID 11457792
3-Allyl-1,3-dimethyl-piperidin-4-one
CID 13740022
1-Methyl-4-prop-2-enylpiperidin-3-one
CID 23524295
1-[4-Methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]ethanone
CID 57798097
1-(1-Phosphanyl-4-prop-2-enylpiperidin-4-yl)ethanone
CID 58683597
1-(1-Prop-2-enylpiperidin-4-yl)ethanone
CID 58837162
1-Pentyl-3-prop-2-enylpiperidin-4-one
CID 68718418
1-(3-Ethylhex-5-enyl)piperidin-4-one
CID 69353924
(Z)-5-methylidene-4-(2-piperidin-1-ylethyl)-4-[(E)-prop-1-enyl]oct-6-en-3-one
CID 90443580
1-(4-Ethenylpiperidin-4-yl)ethanone
CID 118175802
Tert-butyl 4-acetyl-4-prop-2-enylpiperidine-1-carboxylate
CID 123458894
2,2-Diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one
CID 129252512

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone (CID 20798296) is 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone is C=CCC1(C(C)=O)CCN(C)CC1.
What is the InChIKey of 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone?
The InChIKey is LAAIRHIOWUDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-11(10(2)13)6-8-12(3)9-7-11/h4H,1,5-9H2,2-3H3.
What are the key properties of 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone?
1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-prop-2-enylpiperidin-4-yl)ethanone is sourced from PubChem (CID 20798296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).