2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone

C138H271N21O — CID 159887139

About 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone

2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone (PubChem CID 159887139) has the molecular formula C138H271N21O and a molecular weight of 2240.83 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone
• PubChem CID: 159887139
• Molecular Formula: C138H271N21O
• Molecular Weight: 2240.83 g/mol
• Exact Mass: 2239.18
• IUPAC Name: 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone
• SMILES: CC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)[C@@H](C)CN1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.C[C@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2
• InChI: InChI=1S/C21H41N3.4C20H39N3.C19H37N3O.C18H37N3/c1-16-10-22(11-19(3,4)5)17(2)9-18(16)23-12-21(13-23)14-24(15-21)20(6,7)8;2*1-16-10-21(11-18(2,3)4)9-8-17(16)22-12-20(13-22)14-23(15-20)19(5,6)7;2*1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7;1-18(2,3)15-20-9-7-16(8-10-20)17(23)21-11-13-22(14-12-21)19(4,5)6;1-17(2,3)15-19-9-7-16(8-10-19)20-11-13-21(14-12-20)18(4,5)6/h16-18H,9-15H2,1-8H3;4*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3/t16-,17+,18?;4*16-,17?;;/m01010../s1
• InChIKey: NUGXRGXEUVNGPD-IFZWAKHFSA-N
• XLogP: 22.07
• TPSA: 85.11 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.83
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone?

The IUPAC name of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone (CID 159887139) is 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone.

What is the SMILES notation for 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone?

The canonical SMILES for 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone is CC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)[C@@H](C)CN1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.C[C@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.

What is the InChIKey of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone?

The InChIKey is NUGXRGXEUVNGPD-IFZWAKHFSA-N. The full InChI is InChI=1S/C21H41N3.4C20H39N3.C19H37N3O.C18H37N3/c1-16-10-22(11-19(3,4)5)17(2)9-18(16)23-12-21(13-23)14-24(15-21)20(6,7)8;2*1-16-10-21(11-18(2,3)4)9-8-17(16)22-12-20(13-22)14-23(15-20)19(5,6)7;2*1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7;1-18(2,3)15-20-9-7-16(8-10-20)17(23)21-11-13-22(14-12-21)19(4,5)6;1-17(2,3)15-19-9-7-16(8-10-19)20-11-13-21(14-12-20)18(4,5)6/h16-18H,9-15H2,1-8H3;4*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3/t16-,17+,18?;4*16-,17?;;/m01010../s1.

What are the key properties of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone?

2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone has a molecular weight of 2240.83 g/mol, XLogP of 22.07, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 159887139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).