Piperidine, 1-(2-(5-(4-methoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1)
Basic information
- CAS
158553-35-6- Standard SMILES
COc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.O=P(O)(O)O- InChIKey
IURCRIKAIIZMMR-UHFFFAOYSA-N- Molecular formula
- C15H24N5O5P
- Average molar mass
- 385.36 g/mol
- Monoisotopic mass
- 385.15150588
Names & identifiers
- Preferred name
- Piperidine, 1-(2-(5-(4-methoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1)
- IUPAC
- 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine;phosphoric acid
Names & synonyms
Piperidine, 1-(2-(5-(4-methoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, phosphate (1:1)1-(2-(5-(4-Methoxyphenyl)-2H-tetrazol-2-yl)ethyl)piperidine phosphate (1:1)158553-35-6DTXSID70166445RefChem:372964DTXCID3088936Phosphoric acid--1-{2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]ethyl}piperidine (1/1)
Database identifiers
- CAS
158553-35-6- PubChem CID
- 3074472
- DTXSID
DTXSID70166445
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 352
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Related reactions
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Compound notes
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