Basic information
- CAS
428857-73-2- Standard SMILES
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCCCC1- InChIKey
JARDZNMLXHBKAW-UHFFFAOYSA-N- Molecular formula
- C14H16FN5O
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.13388831
Names & identifiers
- Preferred name
- 1-{[5-(4-fluorophenyl)-2H-tetrazol-2-yl]acetyl}piperidine
- IUPAC
- 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
Names & synonyms
1-{[5-(4-fluorophenyl)-2H-tetrazol-2-yl]acetyl}piperidineOprea1_115367MLS000684049CHEMBL1299865DTXSID001328843HMS2730P132-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanoneAKOS001305781428857-73-2SMR000291685SR-01000478802SR-01000478802-1
Show more names
Z177496572-[5-(4-Fluorophenyl)-2H-tetrazol-2-yl]-1-(piperidin-1-yl)ethan-1-one
Database identifiers
- CAS
428857-73-2- PubChem CID
- 744261
- DTXSID
DTXSID001328843- ChEMBL
CHEMBL1299865
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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