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102233-13-6 | Piperazine, 2,5-dimethyl-1-[3-[4-(phenoxymethyl)phenyl]propyl]-
CAS No: 102233-13-6 Catalog No: AG0006ZB MDL No:
Product Description
Catalog Number:
AG0006ZB
Chemical Name:
Piperazine, 2,5-dimethyl-1-[3-[4-(phenoxymethyl)phenyl]propyl]-
CAS Number:
102233-13-6
Molecular Formula:
C22H30N2O
Molecular Weight:
338.4864
IUPAC Name:
2,5-dimethyl-1-[3-[4-(phenoxymethyl)phenyl]propyl]piperazine
InChI:
InChI=1S/C22H30N2O/c1-18-16-24(19(2)15-23-18)14-6-7-20-10-12-21(13-11-20)17-25-22-8-4-3-5-9-22/h3-5,8-13,18-19,23H,6-7,14-17H2,1-2H3
InChI Key:
KWRRASCKPNRBCY-UHFFFAOYSA-N
SMILES:
CC1NCC(N(C1)CCCc1ccc(cc1)COc1ccccc1)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.236g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.495g/mol
Monoisotopic Mass:
338.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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