1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one

C18H23NO — CID 69094065

IUPAC1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
SMILESC=CCC1(CC=C)CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C18H23NO/c1-3-11-18(12-4-2)15-19(13-10-17(18)20)14-16-8-6-5-7-9-16/h3-9H,1-2,10-15H2
InChIKeyOVPUZOLMQMCWJO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.60
Rot. Bonds6

About 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one

1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one (PubChem CID 69094065) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
PubChem CID69094065
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
SMILESC=CCC1(CC=C)CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C18H23NO/c1-3-11-18(12-4-2)15-19(13-10-17(18)20)14-16-8-6-5-7-9-16/h3-9H,1-2,10-15H2
InChIKeyOVPUZOLMQMCWJO-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.60
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

1-benzyl-3,3-difluoropiperidin-4-one;hydrate
CID 138393770
1-benzyl-3,3-dimethoxypiperidin-4-one
CID 66780961
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one
CID 67096752
1-benzyl-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylic acid
CID 100959474
(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
CID 101369761
3,3-dipropyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one
CID 177016837
2-benzyl-8a-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one
CID 23366884
1-benzylpiperidin-4-one;butane
CID 70571840
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one?
The IUPAC name of 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one (CID 69094065) is 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one.
What is the SMILES notation for 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one?
The canonical SMILES for 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one is C=CCC1(CC=C)CN(Cc2ccccc2)CCC1=O.
What is the InChIKey of 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one?
The InChIKey is OVPUZOLMQMCWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-11-18(12-4-2)15-19(13-10-17(18)20)14-16-8-6-5-7-9-16/h3-9H,1-2,10-15H2.
What are the key properties of 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one?
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one has a molecular weight of 269.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one is sourced from PubChem (CID 69094065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).