Basic information
- CAS
462068-63-9- Standard SMILES
Cc1cc(CN2CCCCC2)oc1C(=O)O- InChIKey
JTOFFXKPINLCFU-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 3-Methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
- IUPAC
- 3-methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
Names & synonyms
462068-63-93-methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylic acid3-Methyl-5-piperidin-1-ylmethyl-furan-2-carboxylic acidOprea1_393995Oprea1_464679CHEMBL1616163DTXSID701207307WAY-303268-AAKOS000301338SB613943-methyl-5-(1-piperidinylmethyl)-2-furoic acidAE-641/14883026
Show more names
3-Methyl-5-(1-piperidinylmethyl)-2-furancarboxylic acid3-methyl-5-(piperidin-1-ylmethyl)furan-2-carboxylicacid3-Methyl-5-[(piperidin-1-yl)methyl]furan-2-carboxylic acid
Database identifiers
- CAS
462068-63-9- PubChem CID
- 767482
- DTXSID
DTXSID701207307- ChEMBL
CHEMBL1616163
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…