4-Amino-1-(3-methoxypropyl)piperidine - CAS 179474-79-4
Catalog: |
BB013576 |
Product Name: |
4-Amino-1-(3-methoxypropyl)piperidine |
CAS: |
179474-79-4 |
Synonyms: |
1-(3-methoxypropyl)-4-piperidinamine; 1-(3-methoxypropyl)piperidin-4-amine |
IUPAC Name: | 1-(3-methoxypropyl)piperidin-4-amine |
Description: | 4-Amino-1-(3-methoxypropyl)piperidine (CAS# 179474-79-4) is a useful synthetic intermediate in the synthesis of Prucalopride Succinate (P838950); a selective 5-HT4 receptor agonist used effective for chronic constipation, but is not currently approved in the U.S. Prucalopride is approved for the treatment of chronic constipation in Europe. |
Molecular Weight: | 172.27 |
Molecular Formula: | C9H20N2O |
Canonical SMILES: | COCCCN1CCC(CC1)N |
InChI: | InChI=1S/C9H20N2O/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8,10H2,1H3 |
InChI Key: | HIXAJGFVNMKLML-UHFFFAOYSA-N |
MDL: | MFCD11104531 |
LogP: | 1.08420 |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111620857-A | Continuous synthesis method of prucalopride succinate | 20200604 |
CN-108976216-A | A kind of preparation method of prucalopride | 20180907 |
CN-109232544-A | A kind of preparation method of prucalopride | 20180907 |
CN-108976216-B | Preparation method of prucalopride | 20180907 |
CN-109232544-B | Preparation method of prucalopride | 20180907 |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.157563266 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.157563266 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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Amines and Anilines
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