Basic information
- CAS
26586-30-1- Standard SMILES
O=C(O)Cc1ccc(N2CCCCC2)c(Cl)c1- InChIKey
XXIINSHWYFXOSI-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO2
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.0869564
Names & identifiers
- Preferred name
- Acetic acid, (3-chloro-4-piperidinophenyl)-
- IUPAC
- 2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid
Names & synonyms
BRN 1252232(3-Chloro-4-piperidinophenyl)acetic acidACETIC ACID, (3-CHLORO-4-PIPERIDINOPHENYL)-26586-30-1DTXSID501811515-20-03-00070 (Beilstein Handbook Reference)RefChem:316202DTXCID60103642CHEMBL3251907[3-chloro-4-(piperidin-1-yl)phenyl]acetic acid
Database identifiers
- CAS
26586-30-1- PubChem CID
- 33550
- DTXSID
DTXSID50181151- ChEMBL
CHEMBL3251907- Nikkaji
- J85.228G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…