1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine

C12H26N2 — CID 58014682

IUPAC1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine
SMILESCN1CCN(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-11(2,3)12(4,5)14-9-7-13(6)8-10-14/h7-10H2,1-6H3
InChIKeyQLCRYURMFOXULY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine

1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine (PubChem CID 58014682) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine
PubChem CID58014682
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine
SMILESCN1CCN(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-11(2,3)12(4,5)14-9-7-13(6)8-10-14/h7-10H2,1-6H3
InChIKeyQLCRYURMFOXULY-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine (CID 58014682) is 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine is CN1CCN(C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The InChIKey is QLCRYURMFOXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)12(4,5)14-9-7-13(6)8-10-14/h7-10H2,1-6H3.
What are the key properties of 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine?
1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine is sourced from PubChem (CID 58014682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).