bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)

C212H424N24 — CID 158176484

IUPACbis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
SMILESCC(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(CC2CN(C(C)(C)C)C2)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]2CCN(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]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CC2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/2C19H38N2.4C18H36N2.6C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;2*1-16(2,3)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6;2*1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6;2*1-16(2,3)18-9-7-14(8-10-18)11-15-12-19(13-15)17(4,5)6/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3;6*14-15H,7-13H2,1-6H3/t;;4*15-;;;;;;/m..1100....../s1
InChIKeyFYBDXNGNXNLQDV-IHYJEECSSA-N
MW3309.89 g/mol
LogP45.10
Rot. Bonds24

About bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)

bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) (PubChem CID 158176484) has the molecular formula C212H424N24 and a molecular weight of 3309.89 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine).

Molecular Properties

Compound Namebis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
PubChem CID158176484
Molecular FormulaC212H424N24
Molecular Weight3309.89 g/mol
Exact Mass3307.39
IUPAC Namebis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
SMILESCC(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(CC2CN(C(C)(C)C)C2)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]2CCN(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]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CC2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/2C19H38N2.4C18H36N2.6C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;2*1-16(2,3)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6;2*1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6;2*1-16(2,3)18-9-7-14(8-10-18)11-15-12-19(13-15)17(4,5)6/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3;6*14-15H,7-13H2,1-6H3/t;;4*15-;;;;;;/m..1100....../s1
InChIKeyFYBDXNGNXNLQDV-IHYJEECSSA-N
XLogP45.10
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003309.89
LogP ≤ 545.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The IUPAC name of bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) (CID 158176484) is bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine).
What is the SMILES notation for bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The canonical SMILES for bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) 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(CC2CN(C(C)(C)C)C2)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]2CCN(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]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CC2CN(C(C)(C)C)C2)CC1.
What is the InChIKey of bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The InChIKey is FYBDXNGNXNLQDV-IHYJEECSSA-N. The full InChI is InChI=1S/2C19H38N2.4C18H36N2.6C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;2*1-16(2,3)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6;2*1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6;2*1-16(2,3)18-9-7-14(8-10-18)11-15-12-19(13-15)17(4,5)6/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3;6*14-15H,7-13H2,1-6H3/t;;4*15-;;;;;;/m..1100....../s1.
What are the key properties of bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) has a molecular weight of 3309.89 g/mol, XLogP of 45.10, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);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);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) is sourced from PubChem (CID 158176484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).