1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one

C14H18BrN3O — CID 830626

IUPAC1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H18BrN3O/c1-11(19)14(18-9-3-2-4-10-18)17-16-13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-10H2,1H3
InChIKeyREAFWTATCTWTBX-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.25
Rot. Bonds3

About 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one

1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one (PubChem CID 830626) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
PubChem CID830626
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H18BrN3O/c1-11(19)14(18-9-3-2-4-10-18)17-16-13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-10H2,1H3
InChIKeyREAFWTATCTWTBX-UHFFFAOYSA-N
XLogP3.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.25
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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Related Compounds

(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 5456303
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one
CID 45140259
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
ethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]acetate
CID 7722003
methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate
CID 10337879
ethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6024677
N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
CID 76545643
N-[4-[(2E)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]phenyl]acetamide
CID 6223227
1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one
CID 172879323
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
4-bromo-N-(cyclohexylideneamino)aniline
CID 4167253

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one (CID 830626) is 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one is CC(=O)C(=NNc1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
The InChIKey is REAFWTATCTWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11(19)14(18-9-3-2-4-10-18)17-16-13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-10H2,1H3.
What are the key properties of 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one?
1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one has a molecular weight of 324.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 830626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).