(S)-1-Benzyl-3-ethylpiperazine - CAS 324750-04-1
Catalog: |
BB021305 |
Product Name: |
(S)-1-Benzyl-3-ethylpiperazine |
CAS: |
324750-04-1 |
Synonyms: |
(3S)-3-ethyl-1-(phenylmethyl)piperazine; (3S)-1-benzyl-3-ethylpiperazine |
IUPAC Name: | (3S)-1-benzyl-3-ethylpiperazine |
Description: | (S)-1-Benzyl-3-ethylpiperazine (CAS# 324750-04-1) is a useful research chemical. |
Molecular Weight: | 204.31 |
Molecular Formula: | C13H20N2 |
Canonical SMILES: | CCC1CN(CCN1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1 |
InChI Key: | CTPKPBTULPZITK-ZDUSSCGKSA-N |
Boiling Point: | 298.8 °C at 760 mmHg |
Density: | 0.975 g/cm3 |
MDL: | MFCD09608047 |
LogP: | 2.13710 |
Publication Number | Title | Priority Date |
EP-3157922-B1 | Pyrazolo-pyridine derivatives as kinase inhibitors | 20140617 |
JP-2017518383-A | Pyrazolo-pyridine derivatives as kinase inhibitors | 20140617 |
JP-6602856-B2 | Pyrazolo-pyridine derivatives as kinase inhibitors | 20140617 |
US-10087180-B2 | Pyrazolo-pyridine derivatives as kinase inhibitors | 20140617 |
US-2017121324-A1 | Pyrazolo-Pyridine Derivatives as Kinase Inhibitors | 20140617 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.162648646 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 15.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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