1-Boc-4-(trifluoromethyl)piperidine-4-carboxylic Acid - CAS 495415-51-5
Catalog: |
BB026725 |
Product Name: |
1-Boc-4-(trifluoromethyl)piperidine-4-carboxylic Acid |
CAS: |
495415-51-5 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(trifluoromethyl)-4-piperidinecarboxylic acid; 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-4-carboxylic acid |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-4-carboxylic acid |
Description: | 1-Boc-4-(trifluoromethyl)piperidine-4-carboxylic Acid (CAS# 495415-51-5 ) is a useful research chemical. |
Molecular Weight: | 297.27 |
Molecular Formula: | C12H18F3NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C12H18F3NO4/c1-10(2,3)20-9(19)16-6-4-11(5-7-16,8(17)18)12(13,14)15/h4-7H2,1-3H3,(H,17,18) |
InChI Key: | NECZIICXICWRHJ-UHFFFAOYSA-N |
LogP: | 2.58850 |
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 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
KR-20210101205-A | Amino Acid Compounds and Methods of Use | 20181008 |
US-2020123151-A1 | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
CN-112689507-A | Amino acid compounds having unbranched linkers and methods of use thereof | 20180627 |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.11879254 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.11879254 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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