1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane

C16H36N4 — CID 158588187

IUPAC1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC(C)(C)N1CCNCC1.CN1CC2CC1CN2
InChIInChI=1S/C8H18N2.C6H12N2.C2H6/c1-8(2,3)10-6-4-9-5-7-10;1-8-4-5-2-6(8)3-7-5;1-2/h9H,4-7H2,1-3H3;5-7H,2-4H2,1H3;1-2H3
InChIKeyHUCDYVMIXGJIPT-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.38
Rot. Bonds

About 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane

1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 158588187) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID158588187
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC(C)(C)N1CCNCC1.CN1CC2CC1CN2
InChIInChI=1S/C8H18N2.C6H12N2.C2H6/c1-8(2,3)10-6-4-9-5-7-10;1-8-4-5-2-6(8)3-7-5;1-2/h9H,4-7H2,1-3H3;5-7H,2-4H2,1H3;1-2H3
InChIKeyHUCDYVMIXGJIPT-UHFFFAOYSA-N
XLogP1.38
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 158588187) is 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is CC.CC(C)(C)N1CCNCC1.CN1CC2CC1CN2.
What is the InChIKey of 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is HUCDYVMIXGJIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C6H12N2.C2H6/c1-8(2,3)10-6-4-9-5-7-10;1-8-4-5-2-6(8)3-7-5;1-2/h9H,4-7H2,1-3H3;5-7H,2-4H2,1H3;1-2H3.
What are the key properties of 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 284.49 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 158588187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).