Basic information
- CAS
901923-89-5- Standard SMILES
Cc1cnccc1CN1CCC(C(=O)O)CC1- InChIKey
ZXXFCHYKATWTNC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 1-[(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic Acid
- IUPAC
- 1-[(3-methyl-4-pyridinyl)methyl]piperidine-4-carboxylic acid
Names & synonyms
1-[(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic Acid1-[(3-Methyl-4-pyridinyl)methyl]-4-piperidinecarboxylic acidDTXSID701184557901923-89-5
Database identifiers
- CAS
901923-89-5- PubChem CID
- 3976808
- DTXSID
DTXSID701184557
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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