1-[(2-Chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
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Basic information
- CAS
356084-15-6- Standard SMILES
Clc1ccccc1CN1CCN(Cc2cccnc2)CC1- InChIKey
QAHOLULZCCIZPG-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3
- Average molar mass
- 301.8 g/mol
- Monoisotopic mass
- 301.1345753
Names & identifiers
- Preferred name
- 1-[(2-Chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
- IUPAC
- 1-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
- English name
- 1-(2-chlorobenzyl)-4-(3-pyridinylmethyl)piperazine
- Molecular formula
- C17H20ClN3
- Molecular weight
- 301.81
Names & synonyms
1-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine1-(2-chlorobenzyl)-4-(3-pyridinylmethyl)piperazineOprea1_024831Oprea1_8109371-(2-chlorobenzyl)-4-(pyridin-3-ylmethyl)piperazineSTK145369AKOS000553701CCG-107676356084-15-6ST45095800AK-968/131497941-[(2-chlorophenyl)methyl]-4-(3-pyridylmethyl)piperazine
Show more names
Piperazine, 1-[(2-chlorophenyl)methyl]-4-(3-pyridinylmethyl)-
1-[(2-chlorophenyl)methyl]-4-[(pyridin-3-yl)methyl]piperazine--oxalic acid (1/1)
Database identifiers
- CAS
356084-15-6- PubChem CID
- 770186
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 422.6 · 422.6±40.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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