4-(1-Boc-4-piperidyl)benzoic Acid - CAS 149353-75-3
Catalog: |
BB010399 |
Product Name: |
4-(1-Boc-4-piperidyl)benzoic Acid |
CAS: |
149353-75-3 |
Synonyms: |
4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]benzoic acid; 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid |
IUPAC Name: | 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid |
Description: | 4-(1-Boc-4-piperidyl)benzoic Acid (CAS# 149353-75-3) is a useful research chemical. |
Molecular Weight: | 305.37 |
Molecular Formula: | C17H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-8-13(9-11-18)12-4-6-14(7-5-12)15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20) |
InChI Key: | YCNVQGGUCDVTIZ-UHFFFAOYSA-N |
Boiling Point: | 447.971 °C at 760 mmHg |
Density: | 1.168 g/cm3 |
LogP: | 3.43720 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021124172-A1 | 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof | 20191218 |
CN-111056990-A | Preparation method for synthesizing 1-tert-butyloxycarbonyl-4- (4-carboxyphenyl) piperidine | 20191216 |
WO-2021106988-A1 | G9a INHIBITOR | 20191127 |
WO-2020132561-A1 | Targeted protein degradation | 20181220 |
WO-2019196918-A1 | Five-membered heterocyclo-pyrimidine compound, pharmaceutical composition and use thereof | 20180413 |
Complexity: | 399 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.16270821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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