Basic information
- CAS
63916-94-9- Standard SMILES
CC(C)C1CCCCN1CCCOC(=O)c1ccccc1- InChIKey
KCVRSLICXICRCK-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2'-isopropylpiperidino)propyl ester
- IUPAC
- 3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate
- English name
- 3-(2-Isopropylpiperidino)propyl=benzoate
- Molecular formula
- C18H27NO2
- Molecular weight
- 289.41
Names & synonyms
3-(2'-Isopropylpiperidino)propyl benzoate63916-94-9BENZOIC ACID, 3-(2'-ISOPROPYLPIPERIDINO)PROPYL ESTERRefChem:3271263-[2-(propan-2-yl)piperidin-1-yl]propyl benzoateDTXSID409810413-(2-Isopropylpiperidino)propyl=benzoate3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate1-Piperidinepropanol, 2-(1-methylethyl)-, 1-benzoate
Database identifiers
- CAS
63916-94-9- PubChem CID
- 45256
- DTXSID
DTXSID40981041- Nikkaji
- J83.443B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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