2-(1-Benzyl-4-piperidylidene)acetonitrile - CAS 55022-82-7
Catalog: |
BB028885 |
Product Name: |
2-(1-Benzyl-4-piperidylidene)acetonitrile |
CAS: |
55022-82-7 |
Synonyms: |
2-[1-(phenylmethyl)-4-piperidinylidene]acetonitrile; 2-(1-benzylpiperidin-4-ylidene)acetonitrile |
IUPAC Name: | 2-(1-benzylpiperidin-4-ylidene)acetonitrile |
Description: | 2-(1-Benzyl-4-piperidylidene)acetonitrile (CAS# 55022-82-7) is a useful research chemical. |
Molecular Weight: | 212.29 |
Molecular Formula: | C14H16N2 |
Canonical SMILES: | C1CN(CCC1=CC#N)CC2=CC=CC=C2 |
InChI: | InChI=1S/C14H16N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-6H,7-8,10-12H2 |
InChI Key: | GGCMXNUEQZLZHX-UHFFFAOYSA-N |
MDL: | MFCD09908274 |
LogP: | 2.67028 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111072551-A | Method for preparing piperidine amine by catalytic hydrogenation one-step method | 20191230 |
EP-2727916-A1 | Neuroprotective multi-target directed drugs | 20121030 |
JP-2014088343-A | Multi-targeted neuroprotective agent | 20121030 |
JP-6004894-B2 | Multi-targeted neuroprotective agent | 20121030 |
AU-2011219480-A1 | Oxadiazole compounds, their preparation and use | 20100225 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.131348519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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