Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate
Basic information
- CAS
158553-36-7- Standard SMILES
COc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1OC- InChIKey
YHMPMCQDJACYEJ-UHFFFAOYSA-N- Molecular formula
- C16H23N5O2
- Average molar mass
- 317.39 g/mol
- Monoisotopic mass
- 317.18517499
Names & identifiers
- Preferred name
- Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate
- IUPAC
- 1-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]piperidine
Names & synonyms
Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate1-(2-(5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)piperidine hydrate158553-36-7DTXSID30166446RefChem:372957DTXCID80889371-{2-[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]ethyl}piperidine
Database identifiers
- CAS
158553-36-7- PubChem CID
- 3074473
- DTXSID
DTXSID30166446- Nikkaji
- J545.153A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
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Compound notes
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