Piperazine, 1-(4-dimethylamino-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)-
Basic information
- CAS
20980-17-0- Standard SMILES
CN(C)c1ccnc(N2CCN(CCC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)n1- InChIKey
AXVBJXVSFUOBFI-UHFFFAOYSA-N- Molecular formula
- C31H35N5
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.28924614
Names & identifiers
- Preferred name
- Piperazine, 1-(4-dimethylamino-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)-
- IUPAC
- N,N-dimethyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine
- English name
- Piperazine, 1-(4-dimethylamino-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl )-
- Molecular formula
- C31H35N5
- Molecular weight
- 477.64
Names & synonyms
20980-17-0N,N-dimethyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-aminePiperazine, 1-(4-dimethylamino-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)-BRN 0771348DTXSID901751901-(4-Dimethylamino-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)piperazinePiperazine, 1-(4-dimethylamino-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl )-N,N-Dimethyl-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]pyrimidin-4-amine4-Pyrimidinamine, N,N-dimethyl-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]-
Database identifiers
- CAS
20980-17-0- PubChem CID
- 88745
- DTXSID
DTXSID90175190- Nikkaji
- J50.594C
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- Boiling point
- 663 · 663.0±65.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.10(Predicted)
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Compound notes
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