1-Benzimidazolepropionic acid, 2-piperidino-, hydrochloride
Basic information
- CAS
85145-39-7- Standard SMILES
Cl.O=C(O)CCn1c(N2CCCCC2)nc2ccccc21- InChIKey
MYZRALFJLCUEJY-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3O2
- Average molar mass
- 309.79 g/mol
- Monoisotopic mass
- 309.1244046
Names & identifiers
- Preferred name
- 1-Benzimidazolepropionic acid, 2-piperidino-, hydrochloride
- IUPAC
- 3-(2-piperidin-1-ylbenzimidazol-1-yl)propanoic acid;hydrochloride
Names & synonyms
85145-39-71-Benzimidazolepropionic acid, 2-piperidino-, hydrochloride2-Piperidino-1-benzimidazolepropionic acid hydrochloride2-N-Piperidino-2-benzimidazolyl-beta-propionic acid hydrochlorideDTXSID60234283RefChem:227783DTXCID601567743-[2-(1-Piperidinyl)-1H-benzimidazol-1-yl]propanoic acid hydrochloride3-[2-(Piperidin-1-yl)-1H-1,3-benzimidazol-1-yl]propanoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
85145-39-7- PubChem CID
- 3069784
- DTXSID
DTXSID60234283
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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