5-butan-2-yl-1,2,2-trimethylpiperazine

C11H24N2 — CID 64847098

IUPAC5-butan-2-yl-1,2,2-trimethylpiperazine
SMILESCCC(C)C1CN(C)C(C)(C)CN1
InChIInChI=1S/C11H24N2/c1-6-9(2)10-7-13(5)11(3,4)8-12-10/h9-10,12H,6-8H2,1-5H3
InChIKeyOTGZJEGCGYWVFY-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.71
Rot. Bonds2

About 5-butan-2-yl-1,2,2-trimethylpiperazine

5-butan-2-yl-1,2,2-trimethylpiperazine (PubChem CID 64847098) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 5-butan-2-yl-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1,2,2-trimethylpiperazine
PubChem CID64847098
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name5-butan-2-yl-1,2,2-trimethylpiperazine
SMILESCCC(C)C1CN(C)C(C)(C)CN1
InChIInChI=1S/C11H24N2/c1-6-9(2)10-7-13(5)11(3,4)8-12-10/h9-10,12H,6-8H2,1-5H3
InChIKeyOTGZJEGCGYWVFY-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine
CID 82936355
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
CID 106733099
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
5-butan-2-yl-2-cyclopropyl-1-ethyl-2-methylpiperazine
CID 64849041
5-butan-2-yl-2-cyclopropyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64849427
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1,2,2-trimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1,2,2-trimethylpiperazine (CID 64847098) is 5-butan-2-yl-1,2,2-trimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1,2,2-trimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1,2,2-trimethylpiperazine is CCC(C)C1CN(C)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1,2,2-trimethylpiperazine?
The InChIKey is OTGZJEGCGYWVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-9(2)10-7-13(5)11(3,4)8-12-10/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 5-butan-2-yl-1,2,2-trimethylpiperazine?
5-butan-2-yl-1,2,2-trimethylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,2,2-trimethylpiperazine is sourced from PubChem (CID 64847098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).