Free Chemical Databases
-
[Synonyms]
NCIOpen2_009888
MLS000736884
NSC89602
SMR000528409
1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- methoxyphenoxy)methyl]-
450-49-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 376.8771 [g/mol] Molecular Formula C20H25ClN2O3 XLogP 3.5 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 7 Exact Mass 376.15537 MonoIsotopic Mass 376.15537 Topological Polar Surface Area 45.2 Heavy Atom Count 26 Formal Charge 0 Complexity 391 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
Canonical SMILES: COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O
InChI: InChI=1/C20H25ClN2O3/c1-25-19-6-8-20(9-7-19)26-15-18(24)14-22-10-12-23
(13-11-22)17-4-2-16(21)3-5-17/h2-9,18,24H,10-15H2,1H3
Other Chemicals
- NSC615812
- IUPAC Name: (3-amino-3-oxopropyl)sulfanylmethanimidothioic acid,Canonical SMILES: C(CSC(=N)S)C(=O)N,InChI: InC
- NSC186765
- NSC669505,NCI60_024241,
- NCI60_013093
- NSC621345
- NSC255086
- NSC403851,26735-04-6,
- NSC408594,20498-55-9,
- NSC681726,AIDS148743,AIDS-148743,NCI60_029211,2-((4-(1-((1-Cyanoethyl)amino)ethyl)benzyl)amino)propanenitrile,
- IUPAC Name: 2-[6-(2-hydroxy-2,6,,6-trimethylcyclohexyl)-4-methylhex-3-enyl]but-2-enedial,Canonical SMILES: CC(
- NSC226369,2974-95-0,
- MLS000720027,NSC204381,ZINC01738998,SMR000304556,N'~1~,N'~3~-bis[(1E)-(4-methoxyphenyl)methylene]malon
- NSC674551,AIDS146700,AIDS-146700,NCI60_026401,{1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-(1,} 1-diprop
- NSC328039,64932-40-7,
- NCI60_005388
- NSC239371
- Benzoyl-N-methyl amino anthraquinone,NSC652898,AIDS140547,AIDS-140547,NCI60_018494,N-(9,10-Dioxo-9,10-dihydro-
- NSC671349,AIDS145828,AIDS-145828,NCI60_025201,9-(Hydroxy(oxido)amino)benzo[b][1,6]naphthyridine-6-carboxylic a
- NSC701171,NCI60_036370,
- NSC321260
- NSC662372,NCI60_021599,2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine,
- CBDivE_015109,NSC682585,AIDS149032,AIDS-149032,ZINC00197856,NCI60_029586,3,5'-Bi-1H-pyrazole, 3',5-dip
- NSC300916,65754-14-5,
- NSC631555,AIDS134126,AIDS-134126,NCI60_010356,N'-tert-Butyl-3-(4,5-dichloro-3,6-dioxo-3,6-dihydro-1(2H)-py
- NSC194609
- NSC600162
- Oprea1_027599,NSC219449,NSC403641,2,5-Dicarboxy-3,4-diphenyl-thiophene,19799-42-9,
- NSC196250