Benzoic acid, p-isopropoxy-, 3-(2'-methylpiperidino)propyl ester
Basic information
- CAS
63916-92-7- Standard SMILES
CC(C)Oc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
KCGKUMMLOWMRHO-UHFFFAOYSA-N- Molecular formula
- C19H29NO3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.21474379
Names & identifiers
- Preferred name
- Benzoic acid, p-isopropoxy-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-propan-2-yloxybenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-isopropoxybenzoate
- Molecular formula
- C19H29NO3
- Molecular weight
- 319.44
Names & synonyms
3-(2'-Methylpiperidino)propyl p-isopropoxybenzoate63916-92-7BENZOIC ACID, p-ISOPROPOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:327947DTXSID709810393-(2-Methylpiperidin-1-yl)propyl 4-[(propan-2-yl)oxy]benzoate3-(2-Methylpiperidino)propyl=p-isopropoxybenzoateBenzoic acid, 4-(1-methylethoxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-92-7- PubChem CID
- 45254
- DTXSID
DTXSID70981039- Nikkaji
- J83.435A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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