Basic information
- CAS
78070-00-5- Standard SMILES
CC1CN(c2ccncc2N)CCN1c1ccc(Cl)cc1- InChIKey
QVPBKNZVJDRQDI-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4
- Average molar mass
- 302.8 g/mol
- Monoisotopic mass
- 302.1298243
Names & identifiers
- Preferred name
- Piperazine, 1-(3-amino-4-pyridyl)-4-(p-chlorophenyl)-3-methyl-
- IUPAC
- 4-[4-(4-chlorophenyl)-3-methylpiperazin-1-yl]pyridin-3-amine
Names & synonyms
78070-00-5Piperazine, 1-(3-amino-4-pyridyl)-4-(p-chlorophenyl)-3-methyl-RefChem:10958474-[4-(4-chlorophenyl)-3-methylpiperazin-1-yl]pyridin-3-amineBRN 4525952NSC1478643-Pyridinamine, 4-(4-(4-chlorophenyl)-3-methyl-1-piperazinyl)-DTXSID701384979NSC 147864NSC-147864
Database identifiers
- CAS
78070-00-5- PubChem CID
- 98937
- DTXSID
DTXSID701384979
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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