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56621-48-8 | 4-(Piperazin-1-yl)phenol
CAS No: 56621-48-8 Catalog No: AG003CZW MDL No:MFCD00066156
Product Description
Catalog Number:
AG003CZW
Chemical Name:
4-(Piperazin-1-yl)phenol
CAS Number:
56621-48-8
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD00066156
IUPAC Name:
4-piperazin-1-ylphenol
InChI:
InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChI Key:
GPEOAEVZTOQXLG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N1CCNCC1
EC Number:
260-289-6
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| In vivo metabolism of the new designer drug 1-(4-methoxyphenyl)piperazine (MeOPP) in rat and identification of the human cytochrome P450 enzymes responsible for the major metabolic step. | Xenobiotica; the fate of foreign compounds in biological systems 20040201 |
| Toxicological detection of the new designer drug 1-(4-methoxyphenyl)piperazine and its metabolites in urine and differentiation from an intake of structurally related medicaments using gas chromatography-mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20031225 |
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