1, 1'- (1, 6- Hexanediyl) bis- piperidine Dihydrochloride - CAS 88826-31-7
Catalog: |
BB064157 |
Product Name: |
1, 1'- (1, 6- Hexanediyl) bis- piperidine Dihydrochloride |
CAS: |
88826-31-7 |
Synonyms: |
1,6-Di(piperidin-1-yl)hexane Dihydrochloride;Piperidine Impurity J |
IUPAC Name: | 1-(6-piperidin-1-ylhexyl)piperidinedihydrochloride |
Description: | 1, 1'- (1, 6- Hexanediyl) bis- piperidine Dihydrochloride is an impurity of Piperidine (P479985), which is an organic heterocyclic amine widely used as building block and reagent in the synthesis of organic compounds including pharmaceuticals. |
Molecular Weight: | 252.44 + 2(36.46) |
Molecular Formula: | C16H32N2·2HCl |
Canonical SMILES: | C1CCN(CC1)CCCCCCN2CCCCC2.Cl.Cl |
InChI: | InChI=1S/C16H32N2.2ClH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H22*1H |
InChI Key: | UQOZNFXOYYQYFE-UHFFFAOYSA-N |
References: | Reshmi, S.K., et al. J. Med. Plant. Res., 4, 1535 (2010); Wiles, J.A., et al. J. Med. Chem., 54, 3418 (2011). |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.2099045 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.2099045 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 6.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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