bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)

C117H175Cl9F6N20O24 — CID 161164668

About bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)

bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid) (PubChem CID 161164668) has the molecular formula C117H175Cl9F6N20O24 and a molecular weight of 2678.87 g/mol. Its IUPAC name is bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 161164668
• Molecular Formula: C117H175Cl9F6N20O24
• Molecular Weight: 2678.87 g/mol
• Exact Mass: 2673.02
• IUPAC Name: bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(C)(C)OC(=O)NCC1CCN(N)CC1.CC(C)(C)OC(=O)NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.O=C(COc1ccc(Cl)cc1)NN1CCC(CNC(=O)Nc2ccc(Cl)cc2)CC1.O=C(Cl)COc1ccc(Cl)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C=Nc1ccc(Cl)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H24Cl2N4O3.2C19H28ClN3O4.2C14H20ClN3O2.C11H23N3O2.C8H6Cl2O2.C7H4ClNO.2C2HF3O2.10H2/c22-16-1-5-18(6-2-16)25-21(29)24-13-15-9-11-27(12-10-15)26-20(28)14-30-19-7-3-17(23)4-8-19;2*1-19(2,3)27-18(25)21-12-14-8-10-23(11-9-14)22-17(24)13-26-16-6-4-15(20)5-7-16;2*15-12-1-3-13(4-2-12)20-10-14(19)17-18-7-5-11(9-16)6-8-18;1-11(2,3)16-10(15)13-8-9-4-6-14(12)7-5-9;9-6-1-3-7(4-2-6)12-5-8(10)11;8-6-1-3-7(4-2-6)9-5-10;2*3-2(4,5)1(6)7;;;;;;;;;;/h1-8,15H,9-14H2,(H,26,28)(H2,24,25,29);2*4-7,14H,8-13H2,1-3H3,(H,21,25)(H,22,24);2*1-4,11H,5-10,16H2,(H,17,19);9H,4-8,12H2,1-3H3,(H,13,15);1-4H,5H2;1-4H;2*(H,6,7);10*1H
• InChIKey: SHHBIZOKRDDSLN-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 575.60 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2678.87
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid) (CID 161164668) is bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid) is CC(C)(C)OC(=O)NCC1CCN(N)CC1.CC(C)(C)OC(=O)NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.NCC1CCN(NC(=O)COc2ccc(Cl)cc2)CC1.O=C(COc1ccc(Cl)cc1)NN1CCC(CNC(=O)Nc2ccc(Cl)cc2)CC1.O=C(Cl)COc1ccc(Cl)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C=Nc1ccc(Cl)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SHHBIZOKRDDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3.2C19H28ClN3O4.2C14H20ClN3O2.C11H23N3O2.C8H6Cl2O2.C7H4ClNO.2C2HF3O2.10H2/c22-16-1-5-18(6-2-16)25-21(29)24-13-15-9-11-27(12-10-15)26-20(28)14-30-19-7-3-17(23)4-8-19;2*1-19(2,3)27-18(25)21-12-14-8-10-23(11-9-14)22-17(24)13-26-16-6-4-15(20)5-7-16;2*15-12-1-3-13(4-2-12)20-10-14(19)17-18-7-5-11(9-16)6-8-18;1-11(2,3)16-10(15)13-8-9-4-6-14(12)7-5-9;9-6-1-3-7(4-2-6)12-5-8(10)11;8-6-1-3-7(4-2-6)9-5-10;2*3-2(4,5)1(6)7;;;;;;;;;;/h1-8,15H,9-14H2,(H,26,28)(H2,24,25,29);2*4-7,14H,8-13H2,1-3H3,(H,21,25)(H,22,24);2*1-4,11H,5-10,16H2,(H,17,19);9H,4-8,12H2,1-3H3,(H,13,15);1-4H,5H2;1-4H;2*(H,6,7);10*1H.

What are the key properties of bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid)?

bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 2678.87 g/mol, XLogP of 22.37, 35 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[4-(aminomethyl)piperidin-1-yl]-2-(4-chlorophenoxy)acetamide);tert-butyl N-[(1-aminopiperidin-4-yl)methyl]carbamate;bis(tert-butyl N-[[1-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-4-yl]methyl]carbamate);1-chloro-4-isocyanatobenzene;2-(4-chlorophenoxy)acetyl chloride;2-(4-chlorophenoxy)-N-[4-[[(4-chlorophenyl)carbamoylamino]methyl]piperidin-1-yl]acetamide;molecular hydrogen;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 161164668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).