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Home > Other Heterocycles > 185223-32-9
185223-32-9 | 1-Azabicyclo[2.2.2]octane, 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-
CAS No: 185223-32-9 Catalog No: AG0074JA MDL No:
Product Description
Catalog Number:
AG0074JA
Chemical Name:
1-Azabicyclo[2.2.2]octane, 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-
CAS Number:
185223-32-9
Molecular Formula:
C16H25N5
Molecular Weight:
287.4032
IUPAC Name:
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C16H25N5/c1-4-17-16(18-5-1)21-10-8-19(9-11-21)13-15-12-14-2-6-20(15)7-3-14/h1,4-5,14-15H,2-3,6-13H2
InChI Key:
DIYXJXVQUKPSKI-UHFFFAOYSA-N
SMILES:
C1CN2CCC1CC2CN1CCN(CC1)c1ncccn1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.211g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.411g/mol
Monoisotopic Mass:
287.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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