benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde

C93H144F3N15O14 — CID 159669674

About benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde

benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 159669674) has the molecular formula C93H144F3N15O14 and a molecular weight of 1753.26 g/mol. Its IUPAC name is benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159669674
• Molecular Formula: C93H144F3N15O14
• Molecular Weight: 1753.26 g/mol
• Exact Mass: 1752.10
• IUPAC Name: benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(C(=O)OCc1ccccc1)C1CCN(c2cc(C)nc(C)n2)CC1.CCN(C(=O)OCc1ccccc1)C1CCNCC1.CCNC1CCN(C(=O)OC(C)(C)C)CC1.CCNC1CCN(c2cc(C)nc(C)n2)CC1.O=CC(F)(F)F
• InChI: InChI=1S/C21H28N4O2.C20H30N2O4.C15H22N2O2.C13H22N4.C12H24N2O2.C10H17NO3.C2HF3O/c1-4-25(21(26)27-15-18-8-6-5-7-9-18)19-10-12-24(13-11-19)20-14-16(2)22-17(3)23-20;1-5-22(19(24)25-15-16-9-7-6-8-10-16)17-11-13-21(14-12-17)18(23)26-20(2,3)4;1-2-17(14-8-10-16-11-9-14)15(18)19-12-13-6-4-3-5-7-13;1-4-14-12-5-7-17(8-6-12)13-9-10(2)15-11(3)16-13;1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;3-2(4,5)1-6/h5-9,14,19H,4,10-13,15H2,1-3H3;6-10,17H,5,11-15H2,1-4H3;3-7,14,16H,2,8-12H2,1H3;9,12,14H,4-8H2,1-3H3;10,13H,5-9H2,1-4H3;4-7H2,1-3H3;1H
• InChIKey: MTVMEDWPXCZZDD-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 305.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1753.26
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde (CID 159669674) is benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(C(=O)OCc1ccccc1)C1CCN(c2cc(C)nc(C)n2)CC1.CCN(C(=O)OCc1ccccc1)C1CCNCC1.CCNC1CCN(C(=O)OC(C)(C)C)CC1.CCNC1CCN(c2cc(C)nc(C)n2)CC1.O=CC(F)(F)F.

What is the InChIKey of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde?

The InChIKey is MTVMEDWPXCZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.C20H30N2O4.C15H22N2O2.C13H22N4.C12H24N2O2.C10H17NO3.C2HF3O/c1-4-25(21(26)27-15-18-8-6-5-7-9-18)19-10-12-24(13-11-19)20-14-16(2)22-17(3)23-20;1-5-22(19(24)25-15-16-9-7-6-8-10-16)17-11-13-21(14-12-17)18(23)26-20(2,3)4;1-2-17(14-8-10-16-11-9-14)15(18)19-12-13-6-4-3-5-7-13;1-4-14-12-5-7-17(8-6-12)13-9-10(2)15-11(3)16-13;1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;3-2(4,5)1-6/h5-9,14,19H,4,10-13,15H2,1-3H3;6-10,17H,5,11-15H2,1-4H3;3-7,14,16H,2,8-12H2,1H3;9,12,14H,4-8H2,1-3H3;10,13H,5-9H2,1-4H3;4-7H2,1-3H3;1H.

What are the key properties of benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde?

benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1753.26 g/mol, XLogP of 16.16, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-ethylcarbamate;benzyl N-ethyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-[ethyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(2,6-dimethylpyrimidin-4-yl)-N-ethylpiperidin-4-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159669674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).