2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol

C60H86BrClF6N14O6 — CID 159573706

About 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol

2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol (PubChem CID 159573706) has the molecular formula C60H86BrClF6N14O6 and a molecular weight of 1328.78 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol
• PubChem CID: 159573706
• Molecular Formula: C60H86BrClF6N14O6
• Molecular Weight: 1328.78 g/mol
• Exact Mass: 1326.56
• IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol
• SMILES: C.C.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.N#CC1CCN(CCO)CC1.N#CC1CCNCC1.NCC1CCN(CCO)CC1.OCCBr.OCCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
• InChI: InChI=1S/C21H24F3N5O2.C13H7ClF3N3O.C8H18N2O.C8H14N2O.C6H10N2.C2H5BrO.2CH4/c22-21(23,24)31-17-3-1-2-16(12-17)18-14-26-20-5-4-19(27-29(18)20)25-13-15-6-8-28(9-7-15)10-11-30;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;2*9-7-8-1-3-10(4-2-8)5-6-11;7-5-6-1-3-8-4-2-6;3-1-2-4;;/h1-5,12,14-15,30H,6-11,13H2,(H,25,27);1-7H;8,11H,1-7,9H2;8,11H,1-6H2;6,8H,1-4H2;4H,1-2H2;2*1H4
• InChIKey: MIDFNJCMMNDNNA-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 267.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1328.78
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol?

The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol (CID 159573706) is 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol.

What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol?

The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol is C.C.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.N#CC1CCN(CCO)CC1.N#CC1CCNCC1.NCC1CCN(CCO)CC1.OCCBr.OCCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.

What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol?

The InChIKey is MIDFNJCMMNDNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2.C13H7ClF3N3O.C8H18N2O.C8H14N2O.C6H10N2.C2H5BrO.2CH4/c22-21(23,24)31-17-3-1-2-16(12-17)18-14-26-20-5-4-19(27-29(18)20)25-13-15-6-8-28(9-7-15)10-11-30;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;2*9-7-8-1-3-10(4-2-8)5-6-11;7-5-6-1-3-8-4-2-6;3-1-2-4;;/h1-5,12,14-15,30H,6-11,13H2,(H,25,27);1-7H;8,11H,1-7,9H2;8,11H,1-6H2;6,8H,1-4H2;4H,1-2H2;2*1H4.

What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol?

2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 1328.78 g/mol, XLogP of 9.38, 15 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(aminomethyl)piperidin-1-yl]ethanol;2-bromoethanol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;1-(2-hydroxyethyl)piperidine-4-carbonitrile;methane;piperidine-4-carbonitrile;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 159573706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).