3-[4-(5-Fluoro-2-methoxyphenyl)piperazin-1-yl]propylamine

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Basic information

CAS: 102392-09-6
Standard SMILES: COc1ccc(F)cc1N1CCN(CCCN)CC1
InChIKey: CMQXJYHAWDWFTM-UHFFFAOYSA-N
Molecular formula: C14H22FN3O
Average molar mass: 267.34 g/mol
Monoisotopic mass: 267.1746905

Names & identifiers

Preferred name: 3-[4-(5-Fluoro-2-methoxyphenyl)piperazin-1-yl]propylamine
IUPAC: 3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-amine

Names & synonyms

102392-09-6SCHEMBL45331213-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamineCMQXJYHAWDWFTM-UHFFFAOYSA-NDTXSID3012189044-(5-Fluoro-2-methoxyphenyl)-1-piperazinepropanamine3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-amine

Database identifiers

CAS: 102392-09-6
PubChem CID: 21473433
DTXSID: DTXSID301218904

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 41.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 259

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Compound notes

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