Basic information
- CAS
501104-50-3- Standard SMILES
COC(=O)N1CCN(c2ccc(C)c(C)c2)CC1- InChIKey
ORWUTZSBMBWAAT-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- Methyl 4-(3,4-dimethylphenyl)piperazine-1-carboxylate
- IUPAC
- methyl 4-(3,4-dimethylphenyl)piperazine-1-carboxylate
Names & synonyms
methyl 4-(3,4-dimethylphenyl)piperazine-1-carboxylate501104-50-3F1318-0164MLS000707263CHEMBL1731121SCHEMBL10144139DTXSID701325307HMS2730A08SMSSF-0040184AKOS000635288SMR000288728ST50278280
Show more names
VU0300352-2methyl 4-(3,4-xylyl)-1-piperazinecarboxylatemethyl 4-(3,4-dimethylphenyl)piperazinecarboxylate
Database identifiers
- CAS
501104-50-3- PubChem CID
- 890890
- DTXSID
DTXSID701325307- ChEMBL
CHEMBL1731121
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility32.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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