tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)

C97H115ClF15N16O11P — CID 158134282

About tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158134282) has the molecular formula C97H115ClF15N16O11P and a molecular weight of 2032.48 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 158134282
• Molecular Formula: C97H115ClF15N16O11P
• Molecular Weight: 2032.48 g/mol
• Exact Mass: 2030.81
• IUPAC Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCNCC4)nn23)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H36NP.C24H28F3N5O3.C19H20F3N5O.C13H7ClF3N3O.C11H22N2O2.2C2HF3O2/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-23(2,3)35-22(33)31-11-9-16(10-12-31)14-28-20-7-8-21-29-15-19(32(21)30-20)17-5-4-6-18(13-17)34-24(25,26)27;20-19(21,22)28-15-3-1-2-14(10-15)16-12-25-18-5-4-17(26-27(16)18)24-11-13-6-8-23-9-7-13;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;2*3-2(4,5)1(6)7/h9-12,17-22H,3-8,13-16H2,1-2H3;4-8,13,15-16H,9-12,14H2,1-3H3,(H,28,30);1-5,10,12-13,23H,6-9,11H2,(H,24,26);1-7H;9H,4-8,12H2,1-3H3;2*(H,6,7)
• InChIKey: ZUUBDUPUGGLCMF-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 317.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.48
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid) (CID 158134282) is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid) is CC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCNCC4)nn23)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is ZUUBDUPUGGLCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C24H28F3N5O3.C19H20F3N5O.C13H7ClF3N3O.C11H22N2O2.2C2HF3O2/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-23(2,3)35-22(33)31-11-9-16(10-12-31)14-28-20-7-8-21-29-15-19(32(21)30-20)17-5-4-6-18(13-17)34-24(25,26)27;20-19(21,22)28-15-3-1-2-14(10-15)16-12-25-18-5-4-17(26-27(16)18)24-11-13-6-8-23-9-7-13;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;2*3-2(4,5)1(6)7/h9-12,17-22H,3-8,13-16H2,1-2H3;4-8,13,15-16H,9-12,14H2,1-3H3,(H,28,30);1-5,10,12-13,23H,6-9,11H2,(H,24,26);1-7H;9H,4-8,12H2,1-3H3;2*(H,6,7).

What are the key properties of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid)?

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 2032.48 g/mol, XLogP of 23.06, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidine-1-carboxylate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158134282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).