Basic information
- CAS
6936-29-4- Standard SMILES
CC1CCCN(CC(O)CN2CCN(CC(O)CN3CCCC(C)C3)CC2)C1- InChIKey
ALWBJNQJXWWQBC-UHFFFAOYSA-N- Molecular formula
- C22H44N4O2
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.34642666
Names & identifiers
- Preferred name
- 3,3'-Piperazine-1,4-diylbis(1-(3-methylpiperidin-1-yl)propan-2-ol)
- IUPAC
- 1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-(3-methylpiperidin-1-yl)propan-2-ol
- English name
- 1-[4-[2-hydroxy-3-(3-methyl-1-piperidyl)propyl]piperazin-1-yl]-3-(3-me thyl-1-piperidyl)propan-2-ol
- Molecular formula
- C22H44N4O2
- Molecular weight
- 396.61
Names & synonyms
6936-29-43,3'-Piperazine-1,4-diylbis(1-(3-methylpiperidin-1-yl)propan-2-ol)NSC67861NSC 678611,4-Piperazinediethanol,a1,a4-bis[(3-methyl-1-piperidinyl)methyl]-1-[4-[2-HYDROXY-3-(3-METHYL-1-PIPERIDYL)PROPYL]PIPERAZIN-1-YL]-3-(3-METHYL-1-PIPERIDYL)PROPAN-2-OL3,3'-Piperazine-1,4-diylbis[1-(3-methylpiperidin-1-yl)propan-2-ol]NCIOpen2_008446SCHEMBL28348326DTXSID50989119NSC-678611,1'-(Piperazine-1,4-diyl)bis[3-(3-methylpiperidin-1-yl)propan-2-ol]
Show more names
1,4-Piperazinediethanol, α1,α4-bis[(3-methyl-1-piperidinyl)methyl]-1-[4-[2-hydroxy-3-(3-methyl-1-piperidyl)propyl]piperazin-1-yl]-3-(3-me thyl-1-piperidyl)propan-2-ol
1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propyl] piperazin-1-yl]-3-(3-methylpiperidin-1-yl)propan-2-ol
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 515 · 515.0±30.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 14.49 · 14.49±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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