1-Phenyl-4-(3-thienylmethyl)piperazine

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Basic information

CAS: 414887-78-8
Standard SMILES: c1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIKey: MZMIWJFZXGSDDG-UHFFFAOYSA-N
Molecular formula: C15H18N2S
Average molar mass: 258.4 g/mol
Monoisotopic mass: 258.11906976

Names & identifiers

Preferred name: 1-Phenyl-4-(3-thienylmethyl)piperazine
IUPAC: 1-phenyl-4-(thiophen-3-ylmethyl)piperazine

Names & synonyms

1-Phenyl-4-(3-thienylmethyl)piperazine414887-78-8CBDivE_0151361-phenyl-4-(thiophen-3-ylmethyl)piperazineCambridge id 5267601Oprea1_133259DTXSID3012844041-Phenyl-4-[(thiophen-3-yl)methyl]piperazineAB00078118-01SR-01000202370SR-01000202370-1

Database identifiers

CAS: 414887-78-8
PubChem CID: 764679
DTXSID: DTXSID301284404

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 34.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 245

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Compound notes

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