1-Benzylpiperidine-4-carbonitrile - CAS 62718-31-4
Catalog: |
BB031756 |
Product Name: |
1-Benzylpiperidine-4-carbonitrile |
CAS: |
62718-31-4 |
Synonyms: |
1-(phenylmethyl)-4-piperidinecarbonitrile; 1-benzylpiperidine-4-carbonitrile |
IUPAC Name: | 1-benzylpiperidine-4-carbonitrile |
Description: | 1-Benzylpiperidine-4-carbonitrile (CAS# 62718-31-4) is a useful synthetic compound. |
Molecular Weight: | 200.28 |
Molecular Formula: | C13H16N2 |
Canonical SMILES: | C1CN(CCC1C#N)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2 |
InChI Key: | CKJUFUGVCGDYHH-UHFFFAOYSA-N |
Boiling Point: | 330.3 ℃ at 760 mmHg |
Density: | 1.06 g/cm3 |
MDL: | MFCD01540574 |
LogP: | 2.36008 |
Publication Number | Title | Priority Date |
CN-111484444-A | Synthesis method of N-benzyl-4-piperidine formaldehyde | 20200526 |
CN-111484444-B | Synthesis method of N-benzyl-4-piperidine formaldehyde | 20200526 |
WO-2021105116-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
EP-3630770-A1 | Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors | 20170526 |
US-2020172546-A1 | Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors | 20170526 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.131348519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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