1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane

C49H106N6 — CID 159177967

IUPAC1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.3C9H19N.C8H17N.C5H12/c1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4/h5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;1-4H3
InChIKeyKMNGOJOSDJCNGC-UHFFFAOYSA-N
MW779.43 g/mol
LogP11.78
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane

1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane (PubChem CID 159177967) has the molecular formula C49H106N6 and a molecular weight of 779.43 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane
PubChem CID159177967
Molecular FormulaC49H106N6
Molecular Weight779.43 g/mol
Exact Mass778.85
IUPAC Name1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.3C9H19N.C8H17N.C5H12/c1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4/h5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;1-4H3
InChIKeyKMNGOJOSDJCNGC-UHFFFAOYSA-N
XLogP11.78
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.43
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine)
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1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane
CID 157932353
1-Tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 158187720
1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine
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5-[Diethyl(methyl)azaniumyl]pentyl-diethyl-methylazanium;1,1-diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158261578
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1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine
CID 158335808
4-Tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
CID 158526159
1-Ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane
CID 158587608
1,1-Diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158691923
1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158835822

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane (CID 159177967) is 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane?
The InChIKey is KMNGOJOSDJCNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.3C9H19N.C8H17N.C5H12/c1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4/h5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;1-4H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane?
1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane has a molecular weight of 779.43 g/mol, XLogP of 11.78, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane is sourced from PubChem (CID 159177967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).