Piperazine, 1-(3-amino-4-pyridyl)-3-methyl-4-m-tolyl-
Basic information
- CAS
78070-04-9- Standard SMILES
Cc1cccc(N2CCN(c3ccncc3N)CC2C)c1- InChIKey
ASZXDEJRHOXVSW-UHFFFAOYSA-N- Molecular formula
- C17H22N4
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.18444672
Names & identifiers
- Preferred name
- Piperazine, 1-(3-amino-4-pyridyl)-3-methyl-4-m-tolyl-
- IUPAC
- 4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
Names & synonyms
78070-04-9Piperazine, 1-(3-amino-4-pyridyl)-3-methyl-4-m-tolyl-RefChem:10958454-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amineBRN 4518719NSC1479793-Pyridinamine, 4-(3-methyl-4-(3-methylphenyl)-1-piperazinyl)-DTXSID601384976NSC 147979NSC-147979
Database identifiers
- CAS
78070-04-9- PubChem CID
- 98559
- DTXSID
DTXSID601384976
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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