| CAS Number | 1000931-95-2 |
| Catalog Number | AG019L7Z |
| Chemical Name | 4-[(4-Methylpiperidin-1-yl)methyl]benzonitrile |
| IUPAC Name | 4-[(4-methylpiperidin-1-yl)methyl]benzonitrile |
| InChI | InChI=1S/C14H18N2/c1-12-6-8-16(9-7-12)11-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3 |
| InChI Key | CSHDBZOBKRBPGW-UHFFFAOYSA-N |
| MDL Number | MFCD09863331 |
| Molecular Formula | C14H18N2 |
| Molecular Weight | 214.3061 |
| SMILES | CC1CCN(CC2=CC=C(C#N)C=C2)CC1 |
| Synonyms | 4-[(4-methylpiperidin-1-yl)methyl]benzonitrile,
1000931-95-2,
AC1Q2R9J,
SCHEMBL14375216,
CTK6C2941,
ZINC19804663,
AKOS000198485,
MCULE-3007923249,
NE39144,
EN300-30398,
Z54750153,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.312g/mol |
| Monoisotopic Mass | 214.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number