1-Boc-3-phenylpiperidine-2-carboxylic Acid - CAS 321983-19-1
Catalog: |
BB021225 |
Product Name: |
1-Boc-3-phenylpiperidine-2-carboxylic Acid |
CAS: |
321983-19-1 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-phenyl-2-piperidinecarboxylic acid; 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-2-carboxylic acid |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-2-carboxylic acid |
Description: | 1-Boc-3-phenylpiperidine-2-carboxylic Acid (CAS# 321983-19-1) is a useful research chemical. |
Molecular Weight: | 305.37 |
Molecular Formula: | C17H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(C1C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-11-7-10-13(14(18)15(19)20)12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3,(H,19,20) |
InChI Key: | RJSXGIUXOYNBAE-UHFFFAOYSA-N |
Boiling Point: | 454.872 °C at 760 mmHg |
Density: | 1.169 g/cm3 |
LogP: | 3.19220 |
GHS Hazard Statement: | H302 (100%): 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 |
EP-3049435-A1 | Factor xia inhibitors | 20130927 |
US-2016229839-A1 | Factor XIa Inhibitors | 20130927 |
WO-2015047973-A1 | FACTOR XIa INHIBITORS | 20130927 |
AU-2007297627-A1 | Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of Alzheimer's disease | 20060921 |
CA-2664130-A1 | Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | 20060921 |
Complexity: | 409 |
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: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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