Basic information
- CAS
21868-51-9- Standard SMILES
Nc1nc(CN2CCN(C(=O)c3ccccc3)CC2)nc(N2CCCCC2)n1- InChIKey
ARFRNWFGVMVSOQ-UHFFFAOYSA-N- Molecular formula
- C20H27N7O
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.22770851
Names & identifiers
- Preferred name
- Piperazine, 1-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-4-benzoyl-
- IUPAC
- [4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]-phenylmethanone
Names & synonyms
Piperazine, 1-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-4-benzoyl-21868-51-9BRN 0718381(4-{[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}piperazin-1-yl)(phenyl)methanoneDTXSID201762761-((4-Amino-6-piperidino-s-triazin-2-yl)methyl)-4-benzoylpiperazine
Database identifiers
- CAS
21868-51-9- PubChem CID
- 210902
- DTXSID
DTXSID20176276
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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