1-{(4-Chloro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-4-methyl-piperazine
Basic information
- CAS
1052528-16-1- Standard SMILES
CC(C)CCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C)CC1.Cl- InChIKey
FGNILJQMZDSZGS-UHFFFAOYSA-N- Molecular formula
- C18H28Cl2N6
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 398.1752503
Names & identifiers
- Preferred name
- 1-{(4-Chloro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-4-methyl-piperazine
- IUPAC
- 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
Names & synonyms
1-{(4-Chloro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-4-methyl-piperazineSMR000005069MLS000070813MLS002535558CHEMBL1377430DTXSID0013835681052528-16-1Piperazine, 1-[(4-chlorophenyl)[1-(3-methylbutyl)-1H-tetrazol-5-yl]methyl]-4-methyl-, hydrochloride (1:1)
Database identifiers
- CAS
1052528-16-1- PubChem CID
- 6603073
- DTXSID
DTXSID001383568- ChEMBL
CHEMBL1377430
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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