Basic information
- CAS
21868-42-8- Standard SMILES
Nc1nc(CN2CCCCC2)nc(N2CCN(c3ccccc3)CC2)n1- InChIKey
OCVJAKLNEVQFTC-UHFFFAOYSA-N- Molecular formula
- C19H27N7
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.23279389
Names & identifiers
- Preferred name
- 4-(4-Phenyl-1-piperazinyl)-6-(1-piperidinylmethyl)-1,3,5-triazin-2-amine
- IUPAC
- 4-(4-phenylpiperazin-1-yl)-6-(piperidin-1-ylmethyl)-1,3,5-triazin-2-amine
Names & synonyms
s-Triazine, 2-amino-4-(4-phenyl-1-piperazinyl)-6-(piperidinomethyl)-DTXSID3017626721868-42-8RefChem:1069986DTXCID60987584-(4-Phenyl-1-piperazinyl)-6-(1-piperidinylmethyl)-1,3,5-triazin-2-amine4-(4-phenylpiperazin-1-yl)-6-(piperidin-1-ylmethyl)-1,3,5-triazin-2-amineBRN 07205212-Amino-4-(4-phenyl-1-piperazinyl)-6-(piperidinomethyl)-s-triazine4-(4-Phenylpiperazin-1-yl)-6-[(piperidin-1-yl)methyl]-1,3,5-triazin-2-amine
Database identifiers
- CAS
21868-42-8- PubChem CID
- 210893
- DTXSID
DTXSID30176267
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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