Basic information
- CAS
63916-69-8- Standard SMILES
CCC(C)Oc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
VVFLDPAQGSOAKR-UHFFFAOYSA-N- Molecular formula
- C20H31NO3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.23039385
Names & identifiers
- Preferred name
- Benzoic acid, p-sec-butoxy-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-butan-2-yloxybenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-sec-butoxybenzoate
- Molecular formula
- C20H31NO3
- Molecular weight
- 333.46
Names & synonyms
3-(2'-Methylpiperidino)propyl p-sec-butoxybenzoate63916-69-8BENZOIC ACID, p-sec-BUTOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:327958DTXSID809810203-(2-Methylpiperidin-1-yl)propyl 4-[(butan-2-yl)oxy]benzoate3-(2-Methylpiperidino)propyl=p-sec-butoxybenzoateBenzoic acid, 4-(1-methylpropoxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-69-8- PubChem CID
- 45231
- DTXSID
DTXSID80981020- Nikkaji
- J73.898K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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