bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

C127H254N14O2 — CID 157378735

About bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (PubChem CID 157378735) has the molecular formula C127H254N14O2 and a molecular weight of 2009.52 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
• PubChem CID: 157378735
• Molecular Formula: C127H254N14O2
• Molecular Weight: 2009.52 g/mol
• Exact Mass: 2008.02
• IUPAC Name: bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
• SMILES: CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)CCCOCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2
• InChI: InChI=1S/2C19H38N2.C18H36N2O2.3C18H36N2.C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-17(2,3)9-7-14-22-15-8-16(21)19-10-12-20(13-11-19)18(4,5)6;1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6;2*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6/h2*16-17H,7-15H2,1-6H3;7-15H2,1-6H3;7-15H2,1-6H3;2*15-16H,7-14H2,1-6H3;7-14H2,1-6H3/t;;;;2*15-;/m....00./s1
• InChIKey: BKPXTKMTEIQYAG-NDMPWZFYSA-N
• XLogP: 27.17
• TPSA: 71.66 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.52
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?

The IUPAC name of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (CID 157378735) is bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.

What is the SMILES notation for bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?

The canonical SMILES for bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)CCCOCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.

What is the InChIKey of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?

The InChIKey is BKPXTKMTEIQYAG-NDMPWZFYSA-N. The full InChI is InChI=1S/2C19H38N2.C18H36N2O2.3C18H36N2.C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-17(2,3)9-7-14-22-15-8-16(21)19-10-12-20(13-11-19)18(4,5)6;1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6;2*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6/h2*16-17H,7-15H2,1-6H3;7-15H2,1-6H3;7-15H2,1-6H3;2*15-16H,7-14H2,1-6H3;7-14H2,1-6H3/t;;;;2*15-;/m....00./s1.

What are the key properties of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?

bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 2009.52 g/mol, XLogP of 27.17, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 157378735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).