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

C18H44N4 — CID 159163634

IUPAC1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC.C.CC.CC(C)(C)N1CCNCC1.CN1CC2CC1CN2
InChIInChI=1S/C8H18N2.C6H12N2.C2H6.2CH4/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;2*1H4
InChIKeyKKUMWEQQJKOIGB-UHFFFAOYSA-N
MW316.58 g/mol
LogP2.65
Rot. Bonds

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

1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 159163634) has the molecular formula C18H44N4 and a molecular weight of 316.58 g/mol. Its IUPAC name is 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID159163634
Molecular FormulaC18H44N4
Molecular Weight316.58 g/mol
Exact Mass316.36
IUPAC Name1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC.C.CC.CC(C)(C)N1CCNCC1.CN1CC2CC1CN2
InChIInChI=1S/C8H18N2.C6H12N2.C2H6.2CH4/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;2*1H4
InChIKeyKKUMWEQQJKOIGB-UHFFFAOYSA-N
XLogP2.65
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 52.65
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;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 159163634) is 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is C.C.CC.CC(C)(C)N1CCNCC1.CN1CC2CC1CN2.
What is the InChIKey of 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is KKUMWEQQJKOIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C6H12N2.C2H6.2CH4/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;2*1H4.
What are the key properties of 1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
1-tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 316.58 g/mol, XLogP of 2.65, 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;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 159163634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).