| CAS Number | 933698-36-3 |
| Catalog Number | AG01ADKC |
| Chemical Name | 1-(1H-1,3-benzodiazol-2-yl)piperidin-4-amine |
| IUPAC Name | 1-(1H-benzimidazol-2-yl)piperidin-4-amine |
| InChI | InChI=1S/C12H16N4/c13-9-5-7-16(8-6-9)12-14-10-3-1-2-4-11(10)15-12/h1-4,9H,5-8,13H2,(H,14,15) |
| InChI Key | JKXGKJVEEBYFMK-UHFFFAOYSA-N |
| MDL Number | MFCD12768755 |
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.2822 |
| SMILES | N1C(=NC2=C1C=CC=C2)N2CCC(CC2)N |
| Synonyms | 1-(1H-1,3-benzodiazol-2-yl)piperidin-4-amine,
933698-36-3,
SCHEMBL7848240,
ZINC37757002,
AKOS010146087,
MCULE-6374338325,
BB 0247829,
1-(1H-1,3-benzimidazol-2-yl)-4-piperidinamine,
1-(1H-Benzoimidazol-2-yl)-piperidin-4-ylamin e,
4-Piperidinamine, 1-(1H-benzimidazol-2-yl),
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.288g/mol |
| Monoisotopic Mass | 216.137g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number