p-Cymene-2-carboxylic acid, 3-(2-piperidinoethoxy)-, methyl ester
Basic information
- CAS
52073-26-4- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCCN1CCCCC1- InChIKey
DSCOGGPZXUKTID-UHFFFAOYSA-N- Molecular formula
- C19H29NO3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.21474379
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-piperidinoethoxy)-, methyl ester
- IUPAC
- methyl 6-methyl-2-(2-piperidin-1-ylethoxy)-3-propan-2-ylbenzoate
- English name
- 3-(2-Piperidinoethoxy)-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C19H29NO3
- Molecular weight
- 319.44
Names & synonyms
BRN 125686852073-26-4p-CYMENE-2-CARBOXYLIC ACID, 3-(2-PIPERIDINOETHOXY)-, METHYL ESTERMethyl 3-(2-piperidinoethoxy)-p-cymene-2-carboxylateDTXSID602000645-20-02-00127 (Beilstein Handbook Reference)RefChem:367658DTXCID60122555methyl 6-methyl-2-[2-(piperidin-1-yl)ethoxy]-3-(propan-2-yl)benzoate3-(2-Piperidinoethoxy)-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 6-methyl-3-(1-methylethyl)-2-[2-(1-piperidinyl)ethoxy]-, methyl ester
Database identifiers
- CAS
52073-26-4- PubChem CID
- 40215
- DTXSID
DTXSID60200064- Nikkaji
- J85.321F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…