1-Piperazinecarboxylic acid, 4-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-, ethyl ester
Basic information
- CAS
21868-50-8- Standard SMILES
CCOC(=O)N1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1- InChIKey
KENDDWGMCCUSBV-UHFFFAOYSA-N- Molecular formula
- C16H27N7O2
- Average molar mass
- 349.43 g/mol
- Monoisotopic mass
- 349.22262313
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-, ethyl ester
- IUPAC
- ethyl 4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]piperazine-1-carboxylate
Names & synonyms
1-Piperazinecarboxylic acid, 4-((4-amino-6-piperidino-s-triazin-2-yl)methyl)-, ethyl esterethyl 4-{[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}piperazine-1-carboxylate21868-50-8Ethyl 4-((4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)piperazine-1-carboxylateBRN 0717836DTXSID60176275AKOS0025614314-((4-Amino-6-piperidino-s-triazin-2-yl)methyl)-1-piperazinecarboxylic acid ethyl esterEthyl4-((4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)piperazine-1-carboxylate
Database identifiers
- CAS
21868-50-8- PubChem CID
- 210901
- DTXSID
DTXSID60176275
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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