| CAS Number | 1172850-63-3 |
| Catalog Number | AG00J1BL |
| Chemical Name | 3-(1h-Imidazol-1-ylmethyl)piperidine dihydrochloride |
| IUPAC Name | 3-(imidazol-1-ylmethyl)piperidine;dihydrochloride |
| InChI | InChI=1S/C9H15N3.2ClH/c1-2-9(6-10-3-1)7-12-5-4-11-8-12;;/h4-5,8-10H,1-3,6-7H2;2*1H |
| InChI Key | WJXRGAOCDWTFNR-UHFFFAOYSA-N |
| MDL Number | MFCD11502892 |
| Molecular Formula | C9H17Cl2N3 |
| Molecular Weight | 238.1574 |
| SMILES | N1C=CN(CC2CCCNC2)C=1.Cl.Cl |
| Synonyms | 3-(1h-imidazol-1-ylmethyl)piperidine dihydrochloride,
1172850-63-3,
ZX-CM003804,
MFCD11502892,
AKOS030253992,
MCULE-1383015365,
4011872-25G,
3-(1H-IMIDAZOL-1-YLMETHYL)PIPERIDINE, DIHYDROCHLORIDE,
1185293-78-0,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.156g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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