HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4'-Bipiperidine
1,4'-Bipiperidine · 1-Piperidin-4-ylpiperidine · AKOS BB-9180 · 1,4'-bipiperidyl · 4-Piperidinopiperid · [1,4']BIPIPERIDINYL · 3-Boc-aminopiperidin · 1,4'-Bipiperidine 98%
Identifiers & Physical Properties
| CAS No. | 4897-50-1 |
|---|---|
| Molecular formula | C10H20N2 |
| Average molar mass | 168.28 g/mol |
| Monoisotopic mass | 168.16264864 g/mol |
| SMILES | C1CCN(C2CCNCC2)CC1 |
| InChIKey | QDVBKXJMLILLLB-UHFFFAOYSA-N |
| PubChem CID | 78607 |
| ChEMBL | CHEMBL174391 |
| ChEBI | CHEBI:40117 |
| EC No. | 225-522-8 |
| DTXSID | DTXSID20197648 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 15.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 124 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Melting point | 64-66 °C (lit.) |
| Boiling point | 287.25°C (rough estimate) |
| Density | 0.9725 (rough estimate) |
| Refractive index | 1.6011 (estimate) |
| Storage conditions | -20°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Crystalline Solid |
| pKa (acidity coefficient) | 10.31±0.10(Predicted) |
| Color | Light yellow to yellow-brown |
| InChI | InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2 |
| InChIKey | QDVBKXJMLILLLB-UHFFFAOYSA-N |
| SMILES | N1(C2CCNCC2)CCCCC1 |
| CAS DataBase Reference | 4897-50-1(CAS DataBase Reference) |
| FDA UNII | WBP6BM27HP |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-24/25 |
| Water hazard class (WGK) | 3 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | DangerH314 (11.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (11.5%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-24/25 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Reactant for synthesis of: Arylthiadiazole H3 antagonists1 Water-soluble N-mustards as anticancer agents2 Antitubercular drugs3 Vasopressin1b receptor antagonists4 MDR modulators5 Selective Norepinephrine transporter inhibitors6
Uses
Reactant for synthesis of: Arylthiadiazole H3 antagonists Water-soluble N-mustards as anticancer agents Antitubercular drugs Vasopressin1b receptor antagonists MDR modulators Selective Norepinephrine transporter inhibitors