Basic information
- CAS
1035271-10-3- Standard SMILES
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)cc1- InChIKey
QSJAIUARRSECKW-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13174244
Names & identifiers
- Preferred name
- Methyl 4-(4-acetylpiperazin-1-yl)benzoate
- IUPAC
- methyl 4-(4-acetylpiperazin-1-yl)benzoate
- English name
- methyl 4-(4-acetylpiperazin-1-yl)benzoate
- Molecular formula
- C14H18N2O3
- Molecular weight
- 262.3
Names & synonyms
methyl 4-(4-acetylpiperazin-1-yl)benzoate1035271-10-3MFCD22575250methyl 4-(4- acetylpiperazin-1-yl)benzoateSCHEMBL63698QSJAIUARRSECKW-UHFFFAOYSA-NAKOS025393771DA-48214TS-00843Benzoic acid, 4-(4-acetyl-1-piperazinyl)-, methyl ester
Database identifiers
- CAS
1035271-10-3- PubChem CID
- 57440409
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 460.2 · 460.2±40.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 2.31 · 2.31±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
7 records
Compound notes
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