tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one

C116H243N21O9 — CID 160968562

About tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one

tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one (PubChem CID 160968562) has the molecular formula C116H243N21O9 and a molecular weight of 2076.36 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one.

Molecular Properties

• Compound Name: tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one
• PubChem CID: 160968562
• Molecular Formula: C116H243N21O9
• Molecular Weight: 2076.36 g/mol
• Exact Mass: 2074.92
• IUPAC Name: tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one
• SMILES: CC(C)C1CN(C(C)C)CCN1.CC(C)C1CN(C(C)C)CCN1C(=O)OC(C)(C)C.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNC(=O)C1.CC1CCCN(C(C)C)C1.CC1CN(C(C)C)CC(C)N1.CCN1CCN(C(C)C)CC1
• InChI: InChI=1S/C15H30N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.2C10H22N2.2C9H20N2.C9H19N.C8H18N2.C7H14N2O/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)11-5-8(3)10-9(4)6-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-4-3-8-7(10)5-9/h11-13H,8-10H2,1-7H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H,8,10)
• InChIKey: SXYJFHTWOHXRAI-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 216.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.36
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one?

The IUPAC name of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one (CID 160968562) is tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one.

What is the SMILES notation for tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one?

The canonical SMILES for tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one is CC(C)C1CN(C(C)C)CCN1.CC(C)C1CN(C(C)C)CCN1C(=O)OC(C)(C)C.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNC(=O)C1.CC1CCCN(C(C)C)C1.CC1CN(C(C)C)CC(C)N1.CCN1CCN(C(C)C)CC1.

What is the InChIKey of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one?

The InChIKey is SXYJFHTWOHXRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.2C10H22N2.2C9H20N2.C9H19N.C8H18N2.C7H14N2O/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)11-5-8(3)10-9(4)6-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-4-3-8-7(10)5-9/h11-13H,8-10H2,1-7H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H,8,10).

What are the key properties of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one?

tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one has a molecular weight of 2076.36 g/mol, XLogP of 17.43, 15 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 160968562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).