dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde

C48H73Cl2F3K2N10O8 — CID 161220350

About dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde

dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde (PubChem CID 161220350) has the molecular formula C48H73Cl2F3K2N10O8 and a molecular weight of 1124.27 g/mol. Its IUPAC name is dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161220350
• Molecular Formula: C48H73Cl2F3K2N10O8
• Molecular Weight: 1124.27 g/mol
• Exact Mass: 1122.42
• IUPAC Name: dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde
• SMILES: C.C=NC#N.COC(C)(C)[C@H]1CN(C2CCN(c3n[nH]c(N)n3)CC2)C(Cc2ccc(Cl)cc2)CO1.COC(C)(C)[C@H]1CN(C2CCNCC2)C(Cc2ccc(Cl)cc2)CO1.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C22H33ClN6O2.C20H31ClN2O2.C2HF3O.C2H2N2.CH2O3.CH4.2K.H/c1-22(2,30-3)19-13-29(18(14-31-19)12-15-4-6-16(23)7-5-15)17-8-10-28(11-9-17)21-25-20(24)26-27-21;1-20(2,24-3)19-13-23(17-8-10-22-11-9-17)18(14-25-19)12-15-4-6-16(21)7-5-15;3-2(4,5)1-6;1-4-2-3;2-1-4-3;;;;/h4-7,17-19H,8-14H2,1-3H3,(H3,24,25,26,27);4-7,17-19,22H,8-14H2,1-3H3;1H;1H2;1,3H;1H4;;;/q;;;;;;2*+1;-1/p-1/t2*18?,19-;;;;;;;/m11......./s1
• InChIKey: SLMRPYGNKPMQJN-IOLNLVKOSA-M
• XLogP: -0.02
• TPSA: 228.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.27
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde (CID 161220350) is dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde is C.C=NC#N.COC(C)(C)[C@H]1CN(C2CCN(c3n[nH]c(N)n3)CC2)C(Cc2ccc(Cl)cc2)CO1.COC(C)(C)[C@H]1CN(C2CCNCC2)C(Cc2ccc(Cl)cc2)CO1.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde?

The InChIKey is SLMRPYGNKPMQJN-IOLNLVKOSA-M. The full InChI is InChI=1S/C22H33ClN6O2.C20H31ClN2O2.C2HF3O.C2H2N2.CH2O3.CH4.2K.H/c1-22(2,30-3)19-13-29(18(14-31-19)12-15-4-6-16(23)7-5-15)17-8-10-28(11-9-17)21-25-20(24)26-27-21;1-20(2,24-3)19-13-23(17-8-10-22-11-9-17)18(14-25-19)12-15-4-6-16(21)7-5-15;3-2(4,5)1-6;1-4-2-3;2-1-4-3;;;;/h4-7,17-19H,8-14H2,1-3H3,(H3,24,25,26,27);4-7,17-19,22H,8-14H2,1-3H3;1H;1H2;1,3H;1H4;;;/q;;;;;;2*+1;-1/p-1/t2*18?,19-;;;;;;;/m11......./s1.

What are the key properties of dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde?

dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1124.27 g/mol, XLogP of -0.02, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;(2R)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;hydride;methane;methylidenecyanamide;oxido formate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161220350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).