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Home > Other Heterocycles > 71172-49-1
71172-49-1 | Bicyclo[2.2.1]heptan-2-one,3-[(4-methyl-1-piperazinyl)methyl]-
CAS No: 71172-49-1 Catalog No: AG005KLT MDL No:
Product Description
Catalog Number:
AG005KLT
Chemical Name:
Bicyclo[2.2.1]heptan-2-one,3-[(4-methyl-1-piperazinyl)methyl]-
CAS Number:
71172-49-1
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C13H22N2O/c1-14-4-6-15(7-5-14)9-12-10-2-3-11(8-10)13(12)16/h10-12H,2-9H2,1H3
InChI Key:
AZDLVOLXVIREKE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CC1C2CCC(C1=O)C2
NSC Number:
87077
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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