p-Toluic acid, 3-(2'-methylpiperidino)propyl ester
Basic information
- CAS
63980-11-0- Standard SMILES
Cc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
HYYCSBXRMNMNBN-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- p-Toluic acid, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-methylbenzoate
- English name
- p-Toluic acid 3-(2-methylpiperidino)propyl ester
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
63980-11-0p-Toluic acid, 3-(2'-methylpiperidino)propyl esterRefChem:10942373-(2-methylpiperidin-1-yl)propyl 4-methylbenzoateBenzoic acid, 4-methyl-, 3-(2-methyl-1-piperidinyl)propyl esterDTXSID70981574p-Toluic acid 3-(2-methylpiperidino)propyl ester
Database identifiers
- CAS
63980-11-0- PubChem CID
- 48998
- DTXSID
DTXSID70981574- Nikkaji
- J154.049A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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