1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane

C218H473N37O13 — CID 159046213

About 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane

1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane (PubChem CID 159046213) has the molecular formula C218H473N37O13 and a molecular weight of 3821.43 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane
• PubChem CID: 159046213
• Molecular Formula: C218H473N37O13
• Molecular Weight: 3821.43 g/mol
• Exact Mass: 3818.75
• IUPAC Name: 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane
• SMILES: C.C.C.C.C.C.C.C.C.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(CC2CC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC1CCC(C)N(C(C)(C)C)C1.CC1CCCCN1C(C)(C)C.CC1CN(C)CCN1C(C)(C)C.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(=O)CN1CCN(C(C)(C)C)CC1.COCC(=O)N1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C12H25N3O.C12H24N2O2.C12H24N2.C12H26N2.C11H23N3O.C11H22N2O2.C11H24N2O.C11H23N.2C10H20N2O.C10H22N2O.4C10H22N2.C10H19NO2.C10H21N.C9H20N2.C9H17NO.C9H19N.9CH4/c1-12(2,3)15-8-6-14(7-9-15)10-11(16)13(4)5;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)14-7-5-13(6-8-14)9-10(15)12-4;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9-6-7-10(2)12(8-9)11(3,4)5;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-9-8-11(5)6-7-12(9)10(2,3)4;3*1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;;;;;;;;;/h6-10H2,1-5H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;7-10H2,1-6H3;5-9H2,1-4H3,(H,12,15);5-9H2,1-4H3;5-10H2,1-4H3;9-10H,6-8H2,1-5H3;2*5-8H2,1-4H3;13H,4-9H2,1-3H3;9H,6-8H2,1-5H3;3*5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;9*1H4
• InChIKey: JWRNPPYCJWLGET-UHFFFAOYSA-N
• XLogP: 33.04
• TPSA: 322.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 21
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3821.43
LogP ≤ 5	33.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane?

The IUPAC name of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane (CID 159046213) is 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane.

What is the SMILES notation for 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane?

The canonical SMILES for 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane is C.C.C.C.C.C.C.C.C.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(CC2CC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC1CCC(C)N(C(C)(C)C)C1.CC1CCCCN1C(C)(C)C.CC1CN(C)CCN1C(C)(C)C.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(=O)CN1CCN(C(C)(C)C)CC1.COCC(=O)N1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane?

The InChIKey is JWRNPPYCJWLGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.C12H24N2O2.C12H24N2.C12H26N2.C11H23N3O.C11H22N2O2.C11H24N2O.C11H23N.2C10H20N2O.C10H22N2O.4C10H22N2.C10H19NO2.C10H21N.C9H20N2.C9H17NO.C9H19N.9CH4/c1-12(2,3)15-8-6-14(7-9-15)10-11(16)13(4)5;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)14-7-5-13(6-8-14)9-10(15)12-4;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9-6-7-10(2)12(8-9)11(3,4)5;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-9-8-11(5)6-7-12(9)10(2,3)4;3*1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;;;;;;;;;/h6-10H2,1-5H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;7-10H2,1-6H3;5-9H2,1-4H3,(H,12,15);5-9H2,1-4H3;5-10H2,1-4H3;9-10H,6-8H2,1-5H3;2*5-8H2,1-4H3;13H,4-9H2,1-3H3;9H,6-8H2,1-5H3;3*5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;9*1H4.

What are the key properties of 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane?

1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane has a molecular weight of 3821.43 g/mol, XLogP of 33.04, 21 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane is sourced from PubChem (CID 159046213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).