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Home Halogens Piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-

Piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-

CAS No.:
132834-56-1
Catalog Number:
AG00118A
Molecular Formula:
C10H11ClF3N3
Molecular Weight:
265.6626
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Product Description
Catalog Number:
AG00118A
Chemical Name:
Piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
132834-56-1
Molecular Formula:
C10H11ClF3N3
Molecular Weight:
265.6626
MDL Number:
MFCD00892750
IUPAC Name:
1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C10H11ClF3N3/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17/h1-2,15H,3-6H2
InChI Key:
QZYYPQAYSFBKPW-UHFFFAOYSA-N
SMILES:
FC(c1ccc(nc1Cl)N1CCNCC1)(F)F
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.664g/mol
Monoisotopic Mass:
265.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Toward prediction of alkane/water partition coefficients. Journal of medicinal chemistry 20080710
Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors. Naunyn-Schmiedeberg's archives of pharmacology 20040801
Properties