Piperazine, 1-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-4-(1-oxo-10-undecenyl)-
Basic information
- CAS
159872-32-9- Standard SMILES
C=CCCCCCCCCC(=O)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1- InChIKey
XVMLRAGUNKMVBU-UHFFFAOYSA-N- Molecular formula
- C27H44N6O
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.35766005
Names & identifiers
- Preferred name
- Piperazine, 1-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-4-(1-oxo-10-undecenyl)-
- IUPAC
- 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-one
- English name
- 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1 -one
- Molecular formula
- C27H44N6O
- Molecular weight
- 468.68
Names & synonyms
159872-32-91-(10-Undecenoyl)-4-(2,6-di(1-pyrrolidinyl)-4-pyrimidinyl)piperazinePiperazine, 1-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-4-(1-oxo-10-undecenyl)-1-(2,6-Di-1-pyrrolidinyl-4-pyrimidinyl)-4-(1-oxo-10-undecenyl)piperazineDTXSID60166757RefChem:371941DTXCID80892481-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-oneSCHEMBL77698241-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1 -one1-{4-[2,6-Di(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}undec-10-en-1-one10-Undecen-1-one, 1-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-
Database identifiers
- CAS
159872-32-9- PubChem CID
- 3074601
- DTXSID
DTXSID60166757
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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