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Home > Fluorides > 132810-10-7
132810-10-7 | Cycloocta[b]pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CAS No: 132810-10-7 Catalog No: AG00117R MDL No:MFCD00893838
Product Description
Catalog Number:
AG00117R
Chemical Name:
Cycloocta[b]pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CAS Number:
132810-10-7
Molecular Formula:
C23H30FN3
Molecular Weight:
367.5028
MDL Number:
MFCD00893838
IUPAC Name:
2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
InChI:
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
InChI Key:
XVGOZDAJGBALKS-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F
UNII:
AQ316B4F8C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.242g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.512g/mol
Monoisotopic Mass:
367.242g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
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