1-Boc-4-cyanopiperidine-4-carboxylic Acid - CAS 495415-34-4
Catalog: |
BB026724 |
Product Name: |
1-Boc-4-cyanopiperidine-4-carboxylic Acid |
CAS: |
495415-34-4 |
Synonyms: |
4-cyano-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid; 4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
IUPAC Name: | 4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
Description: | 1-Boc-4-cyanopiperidine-4-carboxylic Acid (CAS# 495415-34-4) is a useful research chemical. |
Molecular Weight: | 254.28 |
Molecular Formula: | C12H18N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C(=O)O |
InChI: | InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-7H2,1-3H3,(H,15,16) |
InChI Key: | URBDNSCLBSLLFQ-UHFFFAOYSA-N |
LogP: | 1.54978 |
Publication Number | Title | Priority Date |
WO-2021187605-A1 | NITROGEN-CONTAINING HETEROCYCLIC α-CYANO CARBONYL COMPOUND | 20200319 |
JP-2021098691-A | Compounds that are active against nuclear receptors | 20191220 |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124279-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2020131627-A1 | Substituted pyrazolo[1,5-a]pyridine compounds as inhibitors of fgfr tyrosine kinases | 20181219 |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.12665706 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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