Anisopirol

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Basic information

CAS: 13382-33-7
Standard SMILES: COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1
InChIKey: LCZRXFYSMJIDQQ-UHFFFAOYSA-N
Molecular formula: C21H27FN2O2
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.20565627

Names & identifiers

Preferred name: Anisopirol
IUPAC: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol

Names & synonyms

AnisopirolHaloisolAnisopirolum857-62-5R 2159NSC-167758162A01WTAJR-2159NSC167758RefChem:1077024Anisopirol [INN]1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol

Show more names

CHEMBL1045151-Piperazinebutanol, alpha-(4-fluorophenyl)-4-(2-methoxyphenyl)-1-Piperazinebutanol, beta-(p-fluorophenyl)-4-(o-methoxyphenyl)-, (+-)-dl-1-(4-Fluorophenyl)-4-(1-(4-(2-methoxyphenyl))piperazinyl)butanolAmisopirol1-Piperazinebutanol, beta-(4-fluorophenyl)-4-(2-methoxyphenyl)-(+-)-beta-(p-Fluorophenyl)-4-(o-methoxyphenyl)-1-piperazinebutanol13382-33-7

Database identifiers

CAS: 13382-33-7、857-62-5
PubChem CID: 13333
DTXSID: DTXSID20861938
ChEMBL: CHEMBL104515
UNII: 162A01WTAJ
Nikkaji: J69.043K

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 35.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 395

Experimental & physicochemical properties

LogP3.4

Related reactions

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Compound notes

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