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23145-95-1 | Piperazine, 1-[[4-(1-methylethyl)phenyl]methyl]-
CAS No: 23145-95-1 Catalog No: AG002MCE MDL No:MFCD05189157
Product Description
Catalog Number:
AG002MCE
Chemical Name:
Piperazine, 1-[[4-(1-methylethyl)phenyl]methyl]-
CAS Number:
23145-95-1
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
MDL Number:
MFCD05189157
IUPAC Name:
1-[(4-propan-2-ylphenyl)methyl]piperazine
InChI:
InChI=1S/C14H22N2/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChI Key:
HOBCRUDGINOFNV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CN1CCNCC1)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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