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Home Other Building Blocks Piperazine, 1-[[4-(1-methylethyl)phenyl]methyl]-

Piperazine, 1-[[4-(1-methylethyl)phenyl]methyl]-

CAS No.:
23145-95-1
Catalog Number:
AG002MCE
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
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
Properties