4-Piperidinopiperidine - CAS 4897-50-1
Catalog: |
BB026622 |
Product Name: |
4-Piperidinopiperidine |
CAS: |
4897-50-1 |
Synonyms: |
1,4'-Bipiperidine; 1-(4-Piperidyl)piperidine; 1-(Piperidin-4-yl)piperidine; 4-(1-Piperidino)piperidine; 4-(1-Piperidinyl)piperidine; [1,4']Bipiperidinyl |
IUPAC Name: | 1-piperidin-4-ylpiperidine |
Description: | 4-Piperidinopiperidine (CAS# 4897-50-1) is used in the synthesis of selective sphingosine kinase 1 inhibitors used as a therapeutic agent for proliferative diseases. Also used in the synthesis of calcitonin gene-related (CGRP) receptor antagonists. |
Molecular Weight: | 168.28 |
Molecular Formula: | C10H20N2 |
Canonical SMILES: | C1CCN(CC1)C2CCNCC2 |
InChI: | InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2 |
InChI Key: | QDVBKXJMLILLLB-UHFFFAOYSA-N |
Boiling Point: | 251.4±8.0°C at 760 mmHg |
Melting Point: | 63-66°C |
Purity: | ≥95% |
Density: | 0.969±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-white to Pale Red Solid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00006475 |
LogP: | 1.49100 |
GHS Hazard Statement: | H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021095875-A1 | Method for producing oligonucleic acid compound | 20191113 |
WO-2021080359-A1 | Bicyclic compound and use thereof | 20191023 |
WO-2021076886-A1 | 3-phenylsulphonyl-quinoline derivatives as agents for treating pathogenic blood vessels disorders | 20191018 |
US-2021147385-A1 | Compounds and methods for targeting pathogenic blood vessels | 20191018 |
WO-2021057882-A1 | Egfr inhibitor, composition and preparation method therefor | 20190926 |
PMID | Publication Date | Title | Journal |
21754710 | 20110601 | 3-(Piperidin-1-ium-1-yl)-6-azoniaspiro-[5.5]undecane dibromide monohydrate | Acta crystallographica. Section E, Structure reports online |
21579720 | 20100109 | 4-[4-(Piperidin-1-yl)piperidin-1-yl]benzonitrile | Acta crystallographica. Section E, Structure reports online |
17637486 | 20071101 | Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays | European journal of medicinal chemistry |
16854072 | 20060727 | Cationic nonsymmetric transplatinum complexes with piperidinopiperidine ligands. Preparation, characterization, in vitro cytotoxicity, in vivo toxicity, and anticancer efficacy studies | Journal of medicinal chemistry |
16854073 | 20060727 | Interactions of platinum complexes containing cationic, bicyclic, nonplanar piperidinopiperidine ligands with biological nucleophiles | Journal of medicinal chemistry |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.162648646 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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