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544462-20-6 | 2-[(4-Benzyl-1-piperazinyl)carbonyl]-cyclohexanecarboxylic acid
CAS No: 544462-20-6 Catalog No: AG01FOB9 MDL No:
Product Description
Catalog Number:
AG01FOB9
Chemical Name:
2-[(4-Benzyl-1-piperazinyl)carbonyl]-cyclohexanecarboxylic acid
CAS Number:
544462-20-6
IUPAC Name:
2-(4-benzylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C19H26N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,24)
InChI Key:
WFBJXOSYXVXMGA-UHFFFAOYSA-N
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.428g/mol
Monoisotopic Mass:
330.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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