bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium

C94H129Cl3F10N15O17Pd- — CID 159284255

About bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium

bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium (PubChem CID 159284255) has the molecular formula C94H129Cl3F10N15O17Pd- and a molecular weight of 2143.91 g/mol. Its IUPAC name is bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium.

Molecular Properties

• Compound Name: bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium
• PubChem CID: 159284255
• Molecular Formula: C94H129Cl3F10N15O17Pd-
• Molecular Weight: 2143.91 g/mol
• Exact Mass: 2140.76
• IUPAC Name: bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(F)(F)C1.COCOc1ccc(Cl)c(-c2nc(Cl)c(C)c(-c3c(C)noc3C)n2)c1.COCOc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.[CH3-].[Pd]
• InChI: InChI=1S/C28H34ClF2N5O5.C18H17Cl2N3O3.C17H24F2N2O2.2C10H18F2N2O2.C10H15F2NO3.CH3.Pd/c1-15-23(22-16(2)35-41-17(22)3)33-25(19-12-18(39-14-38-7)8-9-20(19)29)34-24(15)32-21-10-11-36(13-28(21,30)31)26(37)40-27(4,5)6;1-9-16(15-10(2)23-26-11(15)3)21-18(22-17(9)20)13-7-12(25-8-24-4)5-6-14(13)19;1-16(2,3)23-15(22)21-10-9-14(17(18,19)12-21)20-11-13-7-5-4-6-8-13;2*1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;;/h8-9,12,21H,10-11,13-14H2,1-7H3,(H,32,33,34);5-7H,8H2,1-4H3;4-8,14,20H,9-12H2,1-3H3;2*7H,4-6,13H2,1-3H3;4-6H2,1-3H3;1H3;/q;;;;;;-1
• InChIKey: HZQTUJVLKZVJON-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 381.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.91
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium?

The IUPAC name of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium (CID 159284255) is bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium.

What is the SMILES notation for bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium?

The canonical SMILES for bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium is CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(F)(F)C1.COCOc1ccc(Cl)c(-c2nc(Cl)c(C)c(-c3c(C)noc3C)n2)c1.COCOc1ccc(Cl)c(-c2nc(NC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.[CH3-].[Pd].

What is the InChIKey of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium?

The InChIKey is HZQTUJVLKZVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClF2N5O5.C18H17Cl2N3O3.C17H24F2N2O2.2C10H18F2N2O2.C10H15F2NO3.CH3.Pd/c1-15-23(22-16(2)35-41-17(22)3)33-25(19-12-18(39-14-38-7)8-9-20(19)29)34-24(15)32-21-10-11-36(13-28(21,30)31)26(37)40-27(4,5)6;1-9-16(15-10(2)23-26-11(15)3)21-18(22-17(9)20)13-7-12(25-8-24-4)5-6-14(13)19;1-16(2,3)23-15(22)21-10-9-14(17(18,19)12-21)20-11-13-7-5-4-6-8-13;2*1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;;/h8-9,12,21H,10-11,13-14H2,1-7H3,(H,32,33,34);5-7H,8H2,1-4H3;4-8,14,20H,9-12H2,1-3H3;2*7H,4-6,13H2,1-3H3;4-6H2,1-3H3;1H3;/q;;;;;;-1;.

What are the key properties of bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium?

bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium has a molecular weight of 2143.91 g/mol, XLogP of 20.31, 15 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate);tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[2-[2-chloro-5-(methoxymethoxy)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;carbanide;4-[6-chloro-2-[2-chloro-5-(methoxymethoxy)phenyl]-5-methylpyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole;palladium is sourced from PubChem (CID 159284255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).