1-(2,2,2-Trifluoroethyl)piperidine-4-methanol - CAS 831169-69-8
Catalog: |
BB036968 |
Product Name: |
1-(2,2,2-Trifluoroethyl)piperidine-4-methanol |
CAS: |
831169-69-8 |
Synonyms: |
[1-(2,2,2-trifluoroethyl)-4-piperidinyl]methanol; [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol |
IUPAC Name: | [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol |
Description: | 1-(2,2,2-Trifluoroethyl)piperidine-4-methanol (CAS# 831169-69-8) is a useful research chemical. |
Molecular Weight: | 197.20 |
Molecular Formula: | C8H14F3NO |
Canonical SMILES: | C1CN(CCC1CO)CC(F)(F)F |
InChI: | InChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-7(5-13)2-4-12/h7,13H,1-6H2 |
InChI Key: | CJUSUBQANRFWAA-UHFFFAOYSA-N |
LogP: | 1.19090 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3039059-A1 | Synthesis of inhibitors of ezh2 | 20161019 |
CN-109843870-A | The synthesis of EZH2 inhibitor | 20161019 |
EP-3529242-A1 | Synthesis of inhibitors of ezh2 | 20161019 |
US-10457640-B2 | Synthesis of inhibitors of EZH2 | 20161019 |
US-2019233375-A1 | Synthesis of inhibitors of ezh2 | 20161019 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.10274856 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.10274856 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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