Basic information
- CAS
64050-37-9- Standard SMILES
CCCCCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
LUEYGEDBAGAETN-UHFFFAOYSA-N- Molecular formula
- C21H33NO3
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.24604391
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-pentoxybenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-pentoxybenzoate
- Molecular formula
- C21H33NO2
- Molecular weight
- 331.49
Names & synonyms
64050-37-9DTXSID609823983-(2-METHYLPIPERIDIN-1-YL)PROPYL 4-(PENTYLOXY)BENZOATERefChem:1066578DTXCID8014096613-(2-methylpiperidin-1-yl)propyl 4-pentoxybenzoate3-(2'-Methylpiperidino)propyl p-pentoxybenzoateBENZOIC ACID, p-PENTOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-pentoxybenzoateBenzoic acid, 4-pentyl-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
64050-37-9- PubChem CID
- 47005
- DTXSID
DTXSID60982398- Nikkaji
- J83.481E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…