(2E)-2-benzylidene-1-methylpiperidin-4-one

C13H15NO — CID 175128090

IUPAC(2E)-2-benzylidene-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C/C1=C\c1ccccc1
InChIInChI=1S/C13H15NO/c1-14-8-7-13(15)10-12(14)9-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3/b12-9+
InChIKeyFGGIATRPHIIZGM-FMIVXFBMSA-N
MW201.27 g/mol
LogP2.32
Rot. Bonds1

About (2E)-2-benzylidene-1-methylpiperidin-4-one

(2E)-2-benzylidene-1-methylpiperidin-4-one (PubChem CID 175128090) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E)-2-benzylidene-1-methylpiperidin-4-one.

Molecular Properties

Compound Name(2E)-2-benzylidene-1-methylpiperidin-4-one
PubChem CID175128090
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E)-2-benzylidene-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C/C1=C\c1ccccc1
InChIInChI=1S/C13H15NO/c1-14-8-7-13(15)10-12(14)9-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3/b12-9+
InChIKeyFGGIATRPHIIZGM-FMIVXFBMSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one
CID 175132799
(2E)-2-benzylidenepiperidin-4-one
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3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
5-benzylidene-1-hydroxyimidazolidin-2-one
CID 69304075
2-benzylidenecyclobutan-1-one
CID 73042587
(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one
CID 135037449
4-benzylidene-1-methylsulfonylpiperidine
CID 71977085
5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine
CID 139948506
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
benzoic acid;1-methylpiperidin-4-one
CID 155024090
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-1-methylpiperidin-4-one?
The IUPAC name of (2E)-2-benzylidene-1-methylpiperidin-4-one (CID 175128090) is (2E)-2-benzylidene-1-methylpiperidin-4-one.
What is the SMILES notation for (2E)-2-benzylidene-1-methylpiperidin-4-one?
The canonical SMILES for (2E)-2-benzylidene-1-methylpiperidin-4-one is CN1CCC(=O)C/C1=C\c1ccccc1.
What is the InChIKey of (2E)-2-benzylidene-1-methylpiperidin-4-one?
The InChIKey is FGGIATRPHIIZGM-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-8-7-13(15)10-12(14)9-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3/b12-9+.
What are the key properties of (2E)-2-benzylidene-1-methylpiperidin-4-one?
(2E)-2-benzylidene-1-methylpiperidin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-1-methylpiperidin-4-one is sourced from PubChem (CID 175128090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).