4-(4-Piperidyl)butanoic Acid - CAS 90950-44-0
Catalog: |
BB040006 |
Product Name: |
4-(4-Piperidyl)butanoic Acid |
CAS: |
90950-44-0 |
Synonyms: |
4-(4-piperidinyl)butanoic acid; 4-piperidin-4-ylbutanoic acid |
IUPAC Name: | 4-piperidin-4-ylbutanoic acid |
Description: | 4-(4-Piperidyl)butanoic Acid (CAS# 90950-44-0) is a useful research chemical. |
Molecular Weight: | 171.24 |
Molecular Formula: | C9H17NO2 |
Canonical SMILES: | C1CNCCC1CCCC(=O)O |
InChI: | InChI=1S/C9H17NO2/c11-9(12)3-1-2-8-4-6-10-7-5-8/h8,10H,1-7H2,(H,11,12) |
InChI Key: | MSTPNVITZIFFEK-UHFFFAOYSA-N |
Boiling Point: | 312.7 ℃ at 760 mmHg |
Density: | 1.021 g/cm3 |
LogP: | 1.56970 |
Publication Number | Title | Priority Date |
EP-3279192-A1 | Piperidine derivatives for use in the treatment of pancreatic cancer | 20160805 |
EP-3494111-A1 | Piperidine derivatives for use in the treatment of pancreatic cancer | 20160805 |
US-2019185452-A1 | Piperidine derivatives for use in the treatment of pancreatic cancer | 20160805 |
WO-2018024907-A1 | Piperidine derivatives for use in the treatment of pancreatic cancer | 20160805 |
US-10894785-B2 | Piperidine derivatives for use in the treatment of pancreatic cancer | 20160805 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.125928785 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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