Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1)
Basic information
- CAS
158553-37-8- Standard SMILES
COc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1OC.O=P(O)(O)O- InChIKey
QRHMUCFDHSJWKE-UHFFFAOYSA-N- Molecular formula
- C16H26N5O6P
- Average molar mass
- 415.38 g/mol
- Monoisotopic mass
- 415.16207056
Names & identifiers
- Preferred name
- Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1)
- IUPAC
- 1-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]piperidine;phosphoric acid
Names & synonyms
Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1)1-(2-(5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)piperidine phosphate (1:1)158553-37-8DTXSID90166447RefChem:372958DTXCID3088938Phosphoric acid--1-{2-[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]ethyl}piperidine (1/1)
Database identifiers
- CAS
158553-37-8- PubChem CID
- 3074474
- DTXSID
DTXSID90166447
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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