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

C11H24N2 — CID 79001867

IUPAC1-butan-2-yl-2,2,5-trimethylpiperazine
SMILESCCC(C)N1CC(C)NCC1(C)C
InChIInChI=1S/C11H24N2/c1-6-10(3)13-7-9(2)12-8-11(13,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyVPKOSZSJXPNNGN-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds2

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

1-butan-2-yl-2,2,5-trimethylpiperazine (PubChem CID 79001867) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-butan-2-yl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-2,2,5-trimethylpiperazine
PubChem CID79001867
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-butan-2-yl-2,2,5-trimethylpiperazine
SMILESCCC(C)N1CC(C)NCC1(C)C
InChIInChI=1S/C11H24N2/c1-6-10(3)13-7-9(2)12-8-11(13,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyVPKOSZSJXPNNGN-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-butan-2-yl-2,2,5-trimethylpiperazine (CID 79001867) is 1-butan-2-yl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-butan-2-yl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-butan-2-yl-2,2,5-trimethylpiperazine is CCC(C)N1CC(C)NCC1(C)C.
What is the InChIKey of 1-butan-2-yl-2,2,5-trimethylpiperazine?
The InChIKey is VPKOSZSJXPNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-10(3)13-7-9(2)12-8-11(13,4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yl-2,2,5-trimethylpiperazine?
1-butan-2-yl-2,2,5-trimethylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 79001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).