3,3-diethyl-1-(3-methylbutyl)piperazine

C13H28N2 — CID 64833456

IUPAC3,3-diethyl-1-(3-methylbutyl)piperazine
SMILESCCC1(CC)CN(CCC(C)C)CCN1
InChIInChI=1S/C13H28N2/c1-5-13(6-2)11-15(10-8-14-13)9-7-12(3)4/h12,14H,5-11H2,1-4H3
InChIKeyYDPBRNNGUSEJRB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About 3,3-diethyl-1-(3-methylbutyl)piperazine

3,3-diethyl-1-(3-methylbutyl)piperazine (PubChem CID 64833456) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(3-methylbutyl)piperazine
PubChem CID64833456
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3,3-diethyl-1-(3-methylbutyl)piperazine
SMILESCCC1(CC)CN(CCC(C)C)CCN1
InChIInChI=1S/C13H28N2/c1-5-13(6-2)11-15(10-8-14-13)9-7-12(3)4/h12,14H,5-11H2,1-4H3
InChIKeyYDPBRNNGUSEJRB-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-methylbutyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(3-methylbutyl)piperazine (CID 64833456) is 3,3-diethyl-1-(3-methylbutyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(3-methylbutyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(3-methylbutyl)piperazine is CCC1(CC)CN(CCC(C)C)CCN1.
What is the InChIKey of 3,3-diethyl-1-(3-methylbutyl)piperazine?
The InChIKey is YDPBRNNGUSEJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(6-2)11-15(10-8-14-13)9-7-12(3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(3-methylbutyl)piperazine?
3,3-diethyl-1-(3-methylbutyl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-methylbutyl)piperazine is sourced from PubChem (CID 64833456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).