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

C11H19NO — CID 114477846

IUPAC4-methyl-1-piperidin-4-ylpent-4-en-1-one
SMILESC=C(C)CCC(=O)C1CCNCC1
InChIInChI=1S/C11H19NO/c1-9(2)3-4-11(13)10-5-7-12-8-6-10/h10,12H,1,3-8H2,2H3
InChIKeyBTRRHOBAZSOQEW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds4

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

4-methyl-1-piperidin-4-ylpent-4-en-1-one (PubChem CID 114477846) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-1-piperidin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-piperidin-4-ylpent-4-en-1-one
PubChem CID114477846
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methyl-1-piperidin-4-ylpent-4-en-1-one
SMILESC=C(C)CCC(=O)C1CCNCC1
InChIInChI=1S/C11H19NO/c1-9(2)3-4-11(13)10-5-7-12-8-6-10/h10,12H,1,3-8H2,2H3
InChIKeyBTRRHOBAZSOQEW-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
CID 114477895
3-methyl-1-[(3S)-pyrrolidin-3-yl]but-3-en-1-one
CID 165462735
3-methyl-1-pyrrolidin-3-ylbut-3-en-1-one
CID 116568395
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
1-piperidin-4-ylethanone
CID 2723764
2-(diethylamino)-1-piperidin-4-ylethanone
CID 115006957
2-piperidin-4-ylprop-2-enoic acid
CID 67374343
methyl 3-piperidin-4-ylbut-3-enoate
CID 117268304
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-4-ylpent-4-en-1-one?
The IUPAC name of 4-methyl-1-piperidin-4-ylpent-4-en-1-one (CID 114477846) is 4-methyl-1-piperidin-4-ylpent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-piperidin-4-ylpent-4-en-1-one?
The canonical SMILES for 4-methyl-1-piperidin-4-ylpent-4-en-1-one is C=C(C)CCC(=O)C1CCNCC1.
What is the InChIKey of 4-methyl-1-piperidin-4-ylpent-4-en-1-one?
The InChIKey is BTRRHOBAZSOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)3-4-11(13)10-5-7-12-8-6-10/h10,12H,1,3-8H2,2H3.
What are the key properties of 4-methyl-1-piperidin-4-ylpent-4-en-1-one?
4-methyl-1-piperidin-4-ylpent-4-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-4-ylpent-4-en-1-one is sourced from PubChem (CID 114477846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).