N-Cbz-3-piperidinecarboxaldehyde - CAS 201478-72-0
Catalog: |
BB015673 |
Product Name: |
N-Cbz-3-piperidinecarboxaldehyde |
CAS: |
201478-72-0 |
Synonyms: |
3-formyl-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 3-formylpiperidine-1-carboxylate |
IUPAC Name: | benzyl 3-formylpiperidine-1-carboxylate |
Description: | N-Cbz-3-piperidinecarboxaldehyde (CAS# 201478-72-0) is a useful research chemical. |
Molecular Weight: | 247.29 |
Molecular Formula: | C14H17NO3 |
Canonical SMILES: | C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C=O |
InChI: | InChI=1S/C14H17NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2 |
InChI Key: | QKGTVOXHDCVOAW-UHFFFAOYSA-N |
Boiling Point: | 384.503 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
LogP: | 2.17200 |
Publication Number | Title | Priority Date |
WO-2020081257-A1 | Modulators of alpha-1 antitrypsin | 20181005 |
TW-202024091-A | Modulators of alpha-1 antitrypsin | 20181005 |
CN-113164761-A | Modulators of alpha-1 antitrypsin | 20181005 |
EP-3860712-A1 | Modulators of alpha-1 antitrypsin | 20181005 |
KR-20210089656-A | Alpha-1 antitrypsin modulators | 20181005 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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