4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)

C38H82N8 — CID 158526159

IUPAC4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
SMILESCC1CN(C(C)(C)C)CCN1C.CN1CC2CC1CN2C(C)(C)C.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2.C10H22N2.2C9H20N2/c1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-9-8-12(10(2,3)4)7-6-11(9)5;2*1-9(2,3)11-7-5-10(4)6-8-11/h8-9H,5-7H2,1-4H3;9H,6-8H2,1-5H3;2*5-8H2,1-4H3
InChIKeyHMUQTPPUYKLUHX-UHFFFAOYSA-N
MW651.13 g/mol
LogP4.66
Rot. Bonds

About 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)

4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine) (PubChem CID 158526159) has the molecular formula C38H82N8 and a molecular weight of 651.13 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine).

Molecular Properties

Compound Name4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
PubChem CID158526159
Molecular FormulaC38H82N8
Molecular Weight651.13 g/mol
Exact Mass650.67
IUPAC Name4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
SMILESCC1CN(C(C)(C)C)CCN1C.CN1CC2CC1CN2C(C)(C)C.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2.C10H22N2.2C9H20N2/c1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-9-8-12(10(2,3)4)7-6-11(9)5;2*1-9(2,3)11-7-5-10(4)6-8-11/h8-9H,5-7H2,1-4H3;9H,6-8H2,1-5H3;2*5-8H2,1-4H3
InChIKeyHMUQTPPUYKLUHX-UHFFFAOYSA-N
XLogP4.66
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.13
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine) with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-Methylpiperazin-1-yl)ethyl]-5-[2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 123807053
1-Methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 143456779
2-Tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 157092538
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
2,2-dimethyl-1-propan-2-ylpiperazine;2,3-dimethyl-1-propan-2-ylpiperazine;(2S,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine
CID 157528600
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine
CID 158259295
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
CID 158333106
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
CID 158499748
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
1-Tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 158901146
1-Tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropane
CID 159177967

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)?
The IUPAC name of 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) is 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine).
What is the SMILES notation for 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)?
The canonical SMILES for 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine) is CC1CN(C(C)(C)C)CCN1C.CN1CC2CC1CN2C(C)(C)C.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)?
The InChIKey is HMUQTPPUYKLUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C10H22N2.2C9H20N2/c1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-9-8-12(10(2,3)4)7-6-11(9)5;2*1-9(2,3)11-7-5-10(4)6-8-11/h8-9H,5-7H2,1-4H3;9H,6-8H2,1-5H3;2*5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)?
4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine) has a molecular weight of 651.13 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine) is sourced from PubChem (CID 158526159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).