3-(4-Boc-1-piperazinyl)benzoic Acid - CAS 193818-13-2
Catalog: |
BB015017 |
Product Name: |
3-(4-Boc-1-piperazinyl)benzoic Acid |
CAS: |
193818-13-2 |
Synonyms: |
3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid; 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid |
IUPAC Name: | 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid |
Description: | 3-(4-Boc-1-piperazinyl)benzoic Acid (CAS# 193818-13-2) is a useful research chemical. |
Molecular Weight: | 306.36 |
Molecular Formula: | C16H22N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-7-17(8-10-18)13-6-4-5-12(11-13)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20) |
InChI Key: | CUQKZVZRDLXPHZ-UHFFFAOYSA-N |
Boiling Point: | 434.5 °C at 760 mmHg |
Density: | 1.213 g/cm3 |
MDL: | MFCD06657287 |
LogP: | 2.44480 |
Publication Number | Title | Priority Date |
EP-3493814-A1 | Lipid-substituted amino 1,2-and 1,3-diol compounds as modulators of tlr2 dimerization | 20160803 |
JP-2019524781-A | Lipid-substituted amino 1,2-diol compounds and lipid-substituted amino 1,3-diol compounds as TLR2 dimerization regulators | 20160803 |
WO-2018026866-A1 | Lipid-substituted amino 1,2-and 1,3-diol compounds as modulators of tlr2 dimerization | 20160803 |
AU-2018202150-A1 | Teatrahydro-and dihydro-isoquinoline prmt5 inhibitors and uses thereof | 20121221 |
AU-2018202150-B2 | Teatrahydro-and dihydro-isoquinoline prmt5 inhibitors and uses thereof | 20121221 |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.15795719 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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