1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

C144H293N25O13 — CID 159491598

About 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (PubChem CID 159491598) has the molecular formula C144H293N25O13 and a molecular weight of 2583.09 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
• PubChem CID: 159491598
• Molecular Formula: C144H293N25O13
• Molecular Weight: 2583.09 g/mol
• Exact Mass: 2581.30
• IUPAC Name: 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
• SMILES: CC(C)(C)CC(O)CN1CCCCC1.CC(C)(C)CC(O)CN1CCOCC1.CC(C)(C)CCN[C@@H]1CCOC1.CC(C)(C)CCN[C@H]1CCOC1.CC(C)(C)N1CCC(C(=O)N2CCNCC2)CC1.CC(C)(C)N1CCC(N2CCNC(=O)C2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN(C)C1CCN(C(C)(C)C)CC1.CN(C)C(=O)CNC1CCN(C(C)(C)C)CC1.CN(C)CC(O)CC(C)(C)C.CN1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1.[C-]#[N+]CCN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C15H29N3O.C14H27N3O.C14H29N3O.C13H25N3O.C13H27N3O.C12H24N2O2.C12H25NO.C11H21N3.C11H23NO2.2C10H21NO.C9H21NO/c1-15(2,3)18-7-5-13(6-8-18)14(19)17-11-9-16(4)10-12-17;1-14(2,3)17-8-4-12(5-9-17)13(18)16-10-6-15-7-11-16;1-14(2,3)17-9-7-12(8-10-17)16(6)11-13(18)15(4)5;1-13(2,3)16-7-4-11(5-8-16)15-9-6-14-12(17)10-15;1-13(2,3)16-8-6-11(7-9-16)14-10-12(17)15(4)5;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)9-11(14)10-13-7-5-4-6-8-13;1-11(2,3)14-9-7-13(8-10-14)6-5-12-4;1-11(2,3)8-10(13)9-12-4-6-14-7-5-12;2*1-10(2,3)5-6-11-9-4-7-12-8-9;1-9(2,3)6-8(11)7-10(4)5/h13H,5-12H2,1-4H3;12,15H,4-11H2,1-3H3;12H,7-11H2,1-6H3;11H,4-10H2,1-3H3,(H,14,17);11,14H,6-10H2,1-5H3;5-10H2,1-4H3;11,14H,4-10H2,1-3H3;5-10H2,1-3H3;10,13H,4-9H2,1-3H3;2*9,11H,4-8H2,1-3H3;8,11H,6-7H2,1-5H3/t;;;;;;;;;2*9-;/m.........10./s1
• InChIKey: LYGKGDIBFPQRMW-DIPZEEILSA-N
• XLogP: 15.70
• TPSA: 326.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2583.09
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?

The IUPAC name of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (CID 159491598) is 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.

What is the SMILES notation for 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?

The canonical SMILES for 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is CC(C)(C)CC(O)CN1CCCCC1.CC(C)(C)CC(O)CN1CCOCC1.CC(C)(C)CCN[C@@H]1CCOC1.CC(C)(C)CCN[C@H]1CCOC1.CC(C)(C)N1CCC(C(=O)N2CCNCC2)CC1.CC(C)(C)N1CCC(N2CCNC(=O)C2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN(C)C1CCN(C(C)(C)C)CC1.CN(C)C(=O)CNC1CCN(C(C)(C)C)CC1.CN(C)CC(O)CC(C)(C)C.CN1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1.[C-]#[N+]CCN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?

The InChIKey is LYGKGDIBFPQRMW-DIPZEEILSA-N. The full InChI is InChI=1S/C15H29N3O.C14H27N3O.C14H29N3O.C13H25N3O.C13H27N3O.C12H24N2O2.C12H25NO.C11H21N3.C11H23NO2.2C10H21NO.C9H21NO/c1-15(2,3)18-7-5-13(6-8-18)14(19)17-11-9-16(4)10-12-17;1-14(2,3)17-8-4-12(5-9-17)13(18)16-10-6-15-7-11-16;1-14(2,3)17-9-7-12(8-10-17)16(6)11-13(18)15(4)5;1-13(2,3)16-7-4-11(5-8-16)15-9-6-14-12(17)10-15;1-13(2,3)16-8-6-11(7-9-16)14-10-12(17)15(4)5;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)9-11(14)10-13-7-5-4-6-8-13;1-11(2,3)14-9-7-13(8-10-14)6-5-12-4;1-11(2,3)8-10(13)9-12-4-6-14-7-5-12;2*1-10(2,3)5-6-11-9-4-7-12-8-9;1-9(2,3)6-8(11)7-10(4)5/h13H,5-12H2,1-4H3;12,15H,4-11H2,1-3H3;12H,7-11H2,1-6H3;11H,4-10H2,1-3H3,(H,14,17);11,14H,6-10H2,1-5H3;5-10H2,1-4H3;11,14H,4-10H2,1-3H3;5-10H2,1-3H3;10,13H,4-9H2,1-3H3;2*9,11H,4-8H2,1-3H3;8,11H,6-7H2,1-5H3/t;;;;;;;;;2*9-;/m.........10./s1.

What are the key properties of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?

1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate has a molecular weight of 2583.09 g/mol, XLogP of 15.70, 29 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(2-isocyanoethyl)piperazine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide;(1-tert-butylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is sourced from PubChem (CID 159491598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).