1-Piperazineethanol, alpha-(3-pyridyl)-4-(m-tolyl)-
Basic information
- CAS
58012-98-9- Standard SMILES
Cc1cccc(N2CCN(CC(O)c3cccnc3)CC2)c1- InChIKey
ZMIBNAQKEYVEME-UHFFFAOYSA-N- Molecular formula
- C18H23N3O
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.18411237
Names & identifiers
- Preferred name
- 1-Piperazineethanol, alpha-(3-pyridyl)-4-(m-tolyl)-
- IUPAC
- 2-[4-(3-methylphenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
Names & synonyms
1-Piperazineethanol, alpha-(3-pyridyl)-4-(m-tolyl)-1-(2-Hydroxy-2-(3'-pyridyl)ethyl)-4-(m-tolyl)piperazine58012-98-9RefChem:233945DTXSID609735892-[4-(3-Methylphenyl)piperazin-1-yl]-1-(pyridin-3-yl)ethan-1-ol
Database identifiers
- CAS
58012-98-9- PubChem CID
- 3044992
- DTXSID
DTXSID60973589- Nikkaji
- J117.883K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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