| CAS Number | 304462-63-3 |
| Catalog Number | AG003059(AGN-PC-0N5PEY) |
| Chemical Name | 2-(Piperidin-4-yl)benzonitrile |
| IUPAC Name | 2-piperidin-4-ylbenzonitrile |
| InChI | InChI=1S/C12H14N2/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2 |
| InChI Key | XZCWBSDEASNABK-UHFFFAOYSA-N |
| MDL Number | MFCD11047417 |
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.2530 |
| SMILES | N#CC1=C(C2CCNCC2)C=CC=C1 |
| Synonyms | 2-(PIPERIDIN-4-YL)BENZONITRILE,
304462-63-3,
Benzonitrile, 2-(4-piperidinyl)-,
2-(4-piperidinyl)benzonitrile,
2-Piperidin-4-yl-benzonitrile,
SCHEMBL1513147,
CTK1C0389,
DTXSID20441017,
XZCWBSDEASNABK-UHFFFAOYSA-N,
2-piperidin-4-ylbenzenecarbonitrile,
ZINC38539115,
AKOS006308122,
FT-0763836,
A820378,
I14-16935,
2-(4-piperidyl)benzonitrile,
2-piperidin-4-ylbenzonitrile,
CID10511777,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.258g/mol |
| Monoisotopic Mass | 186.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number