1-(Pyridin-2-ylmethyl)piperidine-4-carboxylic acid dihydrochloride
Basic information
- CAS
1185304-49-7- Standard SMILES
Cl.Cl.O=C(O)C1CCN(Cc2ccccn2)CC1- InChIKey
XNUBWXYZWKFMLX-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2O2
- Average molar mass
- 293.19 g/mol
- Monoisotopic mass
- 292.0745332
Names & identifiers
- Preferred name
- 1-(Pyridin-2-ylmethyl)piperidine-4-carboxylic acid dihydrochloride
- IUPAC
- 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid;dihydrochloride
- English name
- 1-(Pyridin-2-ylmethyl)piperidine-4-carboxylic acid dihydrochloride
- Molecular formula
- C12H17ClN2O2
- Molecular weight
- 256.73
Names & synonyms
1-(PYRIDIN-2-YLMETHYL)PIPERIDINE-4-CARBOXYLIC ACID DIHYDROCHLORIDE1185304-49-71-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid;dihydrochlorideDTXSID301375950AKOS015845543
Database identifiers
- CAS
1185304-49-7- PubChem CID
- 45075016
- DTXSID
DTXSID301375950
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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