(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one

C15H21N3O — CID 5410509

IUPAC(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)/C(=N\Nc1ccccc1C)N1CCCCC1
InChIInChI=1S/C15H21N3O/c1-12-8-4-5-9-14(12)16-17-15(13(2)19)18-10-6-3-7-11-18/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3/b17-15+
InChIKeyDTKRXMSMLAXXHS-BMRADRMJSA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds3

About (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one

(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one (PubChem CID 5410509) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
PubChem CID5410509
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)/C(=N\Nc1ccccc1C)N1CCCCC1
InChIInChI=1S/C15H21N3O/c1-12-8-4-5-9-14(12)16-17-15(13(2)19)18-10-6-3-7-11-18/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3/b17-15+
InChIKeyDTKRXMSMLAXXHS-BMRADRMJSA-N
XLogP2.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
The IUPAC name of (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one (CID 5410509) is (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one is CC(=O)/C(=N\Nc1ccccc1C)N1CCCCC1.
What is the InChIKey of (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
The InChIKey is DTKRXMSMLAXXHS-BMRADRMJSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-8-4-5-9-14(12)16-17-15(13(2)19)18-10-6-3-7-11-18/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3/b17-15+.
What are the key properties of (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2-methylphenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 5410509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).