1-{[5-(3-Bromophenyl)thiophen-2-yl]methyl}piperazine

HCID 39869578

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1087792-11-7
Standard SMILES: Brc1cccc(-c2ccc(CN3CCNCC3)s2)c1
InChIKey: HXAXVUDGLWEFNX-UHFFFAOYSA-N
Molecular formula: C15H17BrN2S
Average molar mass: 337.3 g/mol
Monoisotopic mass: 336.02958

Names & identifiers

Preferred name: 1-{[5-(3-Bromophenyl)thiophen-2-yl]methyl}piperazine
IUPAC: 1-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazine

Names & synonyms

1-{[5-(3-bromophenyl)thiophen-2-yl]methyl}piperazine1087792-11-71-[[5-(3-Bromophenyl)-2-thienyl]methyl]piperazine1-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazine1-{[5-(3-bromophenyl)thien-2-yl]methyl}piperazineDTXSID701235085MFCD11099424AKOS033184882SY175226EN300-36794Z372828314

Database identifiers

CAS: 1087792-11-7
PubChem CID: 39869578
DTXSID: DTXSID701235085

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 43.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 283

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…