4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane

C187H374N22O2 — CID 167590484

About 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane

4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 167590484) has the molecular formula C187H374N22O2 and a molecular weight of 2963.20 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
• PubChem CID: 167590484
• Molecular Formula: C187H374N22O2
• Molecular Weight: 2963.20 g/mol
• Exact Mass: 2960.98
• IUPAC Name: 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
• SMILES: CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)CCCCN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)CCCOCCC(=O)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1
• InChI: InChI=1S/C23H44N2O2.C21H42N2.2C19H38N2.2C18H37N3.2C18H36N2.C17H34N2.C16H32N2/c1-21(2,3)9-7-18-27-19-8-20(26)24-14-10-23(11-15-24)12-16-25(17-13-23)22(4,5)6;1-19(2,3)9-7-8-14-22-15-10-21(11-16-22)12-17-23(18-13-21)20(4,5)6;1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)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;1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(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)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6/h7-19H2,1-6H3;7-18H2,1-6H3;2*16-17H,7-15H2,1-6H3;2*16H,7-15H2,1-6H3;7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3/t;;;16-;;16-;;15-;;/m...1.1.0../s1
• InChIKey: IJGIQFQCHMRJGJ-FPLUUAJQSA-N
• XLogP: 38.81
• TPSA: 97.58 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2963.20
LogP ≤ 5	38.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?

The IUPAC name of 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane (CID 167590484) is 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane.

What is the SMILES notation for 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?

The canonical SMILES for 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane is CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)CCCCN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)CCCOCCC(=O)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.

What is the InChIKey of 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?

The InChIKey is IJGIQFQCHMRJGJ-FPLUUAJQSA-N. The full InChI is InChI=1S/C23H44N2O2.C21H42N2.2C19H38N2.2C18H37N3.2C18H36N2.C17H34N2.C16H32N2/c1-21(2,3)9-7-18-27-19-8-20(26)24-14-10-23(11-15-24)12-16-25(17-13-23)22(4,5)6;1-19(2,3)9-7-8-14-22-15-10-21(11-16-22)12-17-23(18-13-21)20(4,5)6;1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)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;1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(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)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6/h7-19H2,1-6H3;7-18H2,1-6H3;2*16-17H,7-15H2,1-6H3;2*16H,7-15H2,1-6H3;7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3/t;;;16-;;16-;;15-;;/m...1.1.0../s1.

What are the key properties of 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?

4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 2963.20 g/mol, XLogP of 38.81, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 167590484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).