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132834-56-1 | Piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-
CAS No: 132834-56-1 Catalog No: AG00118A MDL No:MFCD00892750
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 |
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