1-tert-butylpiperazine;ethane;methane

C11H28N2 — CID 161367706

IUPAC1-tert-butylpiperazine;ethane;methane
SMILESC.CC.CC(C)(C)N1CCNCC1
InChIInChI=1S/C8H18N2.C2H6.CH4/c1-8(2,3)10-6-4-9-5-7-10;1-2;/h9H,4-7H2,1-3H3;1-2H3;1H4
InChIKeyVQAOGKMGUAZROJ-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.35
Rot. Bonds

About 1-tert-butylpiperazine;ethane;methane

1-tert-butylpiperazine;ethane;methane (PubChem CID 161367706) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 1-tert-butylpiperazine;ethane;methane.

Molecular Properties

Compound Name1-tert-butylpiperazine;ethane;methane
PubChem CID161367706
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC Name1-tert-butylpiperazine;ethane;methane
SMILESC.CC.CC(C)(C)N1CCNCC1
InChIInChI=1S/C8H18N2.C2H6.CH4/c1-8(2,3)10-6-4-9-5-7-10;1-2;/h9H,4-7H2,1-3H3;1-2H3;1H4
InChIKeyVQAOGKMGUAZROJ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-piperazin-1-ylethane-1,1-dithiol
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1-iodo-1-piperazin-1-ylethanol
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(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
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ethane;methane;1-methylpiperazine
CID 142051303
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine;ethane;methane?
The IUPAC name of 1-tert-butylpiperazine;ethane;methane (CID 161367706) is 1-tert-butylpiperazine;ethane;methane.
What is the SMILES notation for 1-tert-butylpiperazine;ethane;methane?
The canonical SMILES for 1-tert-butylpiperazine;ethane;methane is C.CC.CC(C)(C)N1CCNCC1.
What is the InChIKey of 1-tert-butylpiperazine;ethane;methane?
The InChIKey is VQAOGKMGUAZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2H6.CH4/c1-8(2,3)10-6-4-9-5-7-10;1-2;/h9H,4-7H2,1-3H3;1-2H3;1H4.
What are the key properties of 1-tert-butylpiperazine;ethane;methane?
1-tert-butylpiperazine;ethane;methane has a molecular weight of 188.36 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine;ethane;methane is sourced from PubChem (CID 161367706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).