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3074-46-2 | Piperazine, 1-phenyl-4-(phenylmethyl)-
CAS No: 3074-46-2 Catalog No: AG00313W MDL No:MFCD00811058
Product Description
Catalog Number:
AG00313W
Chemical Name:
Piperazine, 1-phenyl-4-(phenylmethyl)-
CAS Number:
3074-46-2
Molecular Formula:
C17H20N2
Molecular Weight:
252.3541
MDL Number:
MFCD00811058
IUPAC Name:
1-benzyl-4-phenylpiperazine
InChI:
InChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChI Key:
VEJWDLHOLWGRLH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.361g/mol
Monoisotopic Mass:
252.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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