1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine

C156H316N20 — CID 167708306

About 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine

1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine (PubChem CID 167708306) has the molecular formula C156H316N20 and a molecular weight of 2472.38 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
• PubChem CID: 167708306
• Molecular Formula: C156H316N20
• Molecular Weight: 2472.38 g/mol
• Exact Mass: 2470.53
• IUPAC Name: 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
• SMILES: CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CN1CC(N2CCC(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CC[C@@H](CN2CCC(C)(C(C)(C)C)CC2)C1
• InChI: InChI=1S/C19H39N3.C19H38N2.C18H37N3.C18H36N2.C17H35N3.2C17H34N2.C16H32N2.C15H31N/c1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)19(7)9-12-20(13-10-19)14-16-8-11-21(15-16)18(4,5)6;1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6;1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)8-7-15-13-20(14-15)17(4,5)6;1-16(2,3)13-18-11-15(12-18)19-9-7-14(8-10-19)17(4,5)6;1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6/h17H,7-16H2,1-6H3;16H,8-15H2,1-7H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3/t;2*16-;15-;;;;;/m.000...../s1
• InChIKey: ZLDWCENQYMEFSW-ZHZDYZTASA-N
• XLogP: 31.22
• TPSA: 64.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.38
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?

The IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine (CID 167708306) is 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine.

What is the SMILES notation for 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?

The canonical SMILES for 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine is CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CN1CC(N2CCC(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CC[C@@H](CN2CCC(C)(C(C)(C)C)CC2)C1.

What is the InChIKey of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?

The InChIKey is ZLDWCENQYMEFSW-ZHZDYZTASA-N. The full InChI is InChI=1S/C19H39N3.C19H38N2.C18H37N3.C18H36N2.C17H35N3.2C17H34N2.C16H32N2.C15H31N/c1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)19(7)9-12-20(13-10-19)14-16-8-11-21(15-16)18(4,5)6;1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6;1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)8-7-15-13-20(14-15)17(4,5)6;1-16(2,3)13-18-11-15(12-18)19-9-7-14(8-10-19)17(4,5)6;1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6/h17H,7-16H2,1-6H3;16H,8-15H2,1-7H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;13H,7-12H2,1-6H3/t;2*16-;15-;;;;;/m.000...../s1.

What are the key properties of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?

1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine has a molecular weight of 2472.38 g/mol, XLogP of 31.22, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine is sourced from PubChem (CID 167708306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).