1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine

C121H247N17 — CID 167710235

IUPAC1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CN2CCN(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)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H38N2.3C18H37N3.C18H36N2.C17H35N3.C13H27N/c1-18(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;2*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;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16-17H,7-15H2,1-6H3;3*16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t16-;;2*16-;15-;;/m1.101../s1
InChIKeyZSIHKROQLXVIBS-XSVMYDGBSA-N
MW1940.43 g/mol
LogP22.92
Rot. Bonds13

About 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine

1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine (PubChem CID 167710235) has the molecular formula C121H247N17 and a molecular weight of 1940.43 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
PubChem CID167710235
Molecular FormulaC121H247N17
Molecular Weight1940.43 g/mol
Exact Mass1938.99
IUPAC Name1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CN2CCN(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)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H38N2.3C18H37N3.C18H36N2.C17H35N3.C13H27N/c1-18(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;2*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;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16-17H,7-15H2,1-6H3;3*16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t16-;;2*16-;15-;;/m1.101../s1
InChIKeyZSIHKROQLXVIBS-XSVMYDGBSA-N
XLogP22.92
TPSA55.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.43
LogP ≤ 522.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine with MolForge

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Related Compounds

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-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine?
The IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine (CID 167710235) is 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine?
The canonical SMILES for 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CN2CCN(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)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine?
The InChIKey is ZSIHKROQLXVIBS-XSVMYDGBSA-N. The full InChI is InChI=1S/C19H38N2.3C18H37N3.C18H36N2.C17H35N3.C13H27N/c1-18(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;2*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;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16-17H,7-15H2,1-6H3;3*16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t16-;;2*16-;15-;;/m1.101../s1.
What are the key properties of 1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine?
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine has a molecular weight of 1940.43 g/mol, XLogP of 22.92, 13 rotatable bonds, 0 hydrogen bond donors, and 17 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-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 167710235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).