Piberaline
Basic information
- CAS
39640-15-8- Standard SMILES
O=C(c1ccccn1)N1CCN(Cc2ccccc2)CC1- InChIKey
TZFUBYYADABEAV-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Overview
Piberaline is a pyridinemonocarboxylic acid and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- Piberaline
- IUPAC
- (4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone
- English name
- Piberaline
- Molecular formula
- C17H19N3O
- Molecular weight
- 281.35
Names & synonyms
PiberalinePiberalinaPiberaline [INN]Piberalinum1-Benzyl-4-picolinoylpiperazinePiberalina [INN-Spanish]Piberalina [Spanish]Piberalinum [INN-Latin]UNII-8M09P36809PIBERALINE [MI]Egyt 4751-Benzyl-4-(2'-pyridinecarbonyl)piperazine
Show more names
1-(Phenylmethyl)-4-(2-pyridinylcarbonyl)piperazineMethanone, [4-(phenylmethyl)-1-piperazinyl]-2-pyridinyl-
8M09P36809DTXSID40192751Piberalinum (INN-Latin)Piberalina (INN-Spanish)Piperazine, 1-(phenylmethyl)-4-(2-pyridinylcarbonyl)-RefChem:174122DTXCID80115242Trelibet
Database identifiers
- CAS
39640-15-8- PubChem CID
- 65975
- DTXSID
DTXSID40192751- ChEMBL
CHEMBL2105223- ChEBI
CHEBI:135167- UNII
- 8M09P36809
- Nikkaji
- J16.426G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 218 · 218-220 °C(Press: 0.09998 Torr)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- pka
- 6.24 · 6.24±0.10(Predicted)
- FDA UNII
- 8 M09P36809 · 8M09P36809
Chemistry & industry
Additional notes
DefinitionChEBI: Piberaline is an aromatic carboxylic acid and a pyridinemonocarboxylic acid.
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Related reactions
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Compound notes
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