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215434-37-0 | 1-(2-hydroxyethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CAS No: 215434-37-0 Catalog No: AG01EUIS MDL No:
Product Description
Catalog Number:
AG01EUIS
Chemical Name:
1-(2-hydroxyethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CAS Number:
215434-37-0
Molecular Formula:
C12H16F3N3O
Molecular Weight:
275.2701
IUPAC Name:
2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol
InChI:
InChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(16-9-10)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2
InChI Key:
AWMALSJZVLRFNA-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.275g/mol
Monoisotopic Mass:
275.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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