2-(4-Methyl-1-piperazinyl)-2-phenylethylamine - CAS 176971-20-3
Catalog: |
BB013263 |
Product Name: |
2-(4-Methyl-1-piperazinyl)-2-phenylethylamine |
CAS: |
176971-20-3 |
Synonyms: |
2-(4-methyl-1-piperazinyl)-2-phenylethanamine; 2-(4-methylpiperazin-1-yl)-2-phenylethanamine |
IUPAC Name: | 2-(4-methylpiperazin-1-yl)-2-phenylethanamine |
Description: | 2-(4-Methyl-1-piperazinyl)-2-phenylethylamine (CAS# 176971-20-3) is a useful research chemical. |
Molecular Weight: | 219.33 |
Molecular Formula: | C13H21N3 |
Canonical SMILES: | CN1CCN(CC1)C(CN)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3 |
InChI Key: | VHZHFHXITHQLFZ-UHFFFAOYSA-N |
LogP: | 1.50990 |
Publication Number | Title | Priority Date |
WO-2010039911-A1 | Calcilytic compounds | 20081001 |
DE-102006032824-A1 | Substituted indazoles | 20060714 |
EP-2044031-A1 | 2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors | 20060714 |
JP-2009543818-A | Substituted indazoles | 20060714 |
US-2010105663-A1 | 2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors | 20060714 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.173547683 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.173547683 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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