1-Piperazineethanol, alpha-(m-methoxyphenoxymethyl)-4-(o-tolyl)-
Basic information
- CAS
74037-85-7- Standard SMILES
COc1cccc(OCC(O)CN2CCN(c3ccccc3C)CC2)c1- InChIKey
WRDCERXUNUMFHI-UHFFFAOYSA-N- Molecular formula
- C21H28N2O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.20999276
Names & identifiers
- Preferred name
- 1-Piperazineethanol, alpha-(m-methoxyphenoxymethyl)-4-(o-tolyl)-
- IUPAC
- 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
- English name
- α-[(3-Methoxyphenoxy)methyl]-4-(o-tolyl)-1-piperazineethanol
- Molecular formula
- C21H28N2O3
- Molecular weight
- 356.46
Names & synonyms
74037-85-7alpha-(m-Methoxyphenoxymethyl)-4-(o-tolyl)-1-piperazineethanol1-Piperazineethanol, alpha-(m-methoxyphenoxymethyl)-4-(o-tolyl)-RefChem:2339521-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-olNCIOpen2_009634DTXSID10995377α-[(3-Methoxyphenoxy)methyl]-4-(o-tolyl)-1-piperazineethanol1-Piperazineethanol, α-[(3-methoxyphenoxy)methyl]-4-(2-methylphenyl)-
Database identifiers
- CAS
74037-85-7- PubChem CID
- 417444
- DTXSID
DTXSID10995377- Nikkaji
- J117.868G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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