Basic information
- CAS
64050-32-4- Standard SMILES
CC1CCCCN1CCCCCCOC(=O)c1ccccc1- InChIKey
REXBYBGSZJEITR-UHFFFAOYSA-N- Molecular formula
- C19H29NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.21982917
Names & identifiers
- Preferred name
- 6-(2-Methylpiperidin-1-yl)hexyl benzoate
- IUPAC
- 6-(2-methylpiperidin-1-yl)hexyl benzoate
- English name
- 6-(2-Methylpiperidino)hexyl=benzoate
- Molecular formula
- C19H29NO2
- Molecular weight
- 303.44
Names & synonyms
6-(2-methylpiperidin-1-yl)hexyl benzoate64050-32-4DTXSID40982396RefChem:1073676DTXCID8014096596-(2'-Methylpiperidino)hexyl benzoateBENZOIC ACID, 6-(2'-METHYLPIPERIDINO)HEXYL ESTER6-(2-methylpiperidin-1-yl)hexylbenzoate6-(2-Methylpiperidino)hexyl=benzoate1-Piperidinehexanol, 2-methyl-, 1-benzoate
Database identifiers
- CAS
64050-32-4- PubChem CID
- 47002
- DTXSID
DTXSID40982396- Nikkaji
- J83.466A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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