1-(2,3-dimethylbutyl)-3,3-diethylpiperazine

C14H30N2 — CID 64952652

IUPAC1-(2,3-dimethylbutyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(CC(C)C(C)C)CCN1
InChIInChI=1S/C14H30N2/c1-6-14(7-2)11-16(9-8-15-14)10-13(5)12(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyVBELUWZOOZMMSF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine

1-(2,3-dimethylbutyl)-3,3-diethylpiperazine (PubChem CID 64952652) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-3,3-diethylpiperazine
PubChem CID64952652
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(2,3-dimethylbutyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(CC(C)C(C)C)CCN1
InChIInChI=1S/C14H30N2/c1-6-14(7-2)11-16(9-8-15-14)10-13(5)12(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyVBELUWZOOZMMSF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine (CID 64952652) is 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine is CCC1(CC)CN(CC(C)C(C)C)CCN1.
What is the InChIKey of 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine?
The InChIKey is VBELUWZOOZMMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(7-2)11-16(9-8-15-14)10-13(5)12(3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine?
1-(2,3-dimethylbutyl)-3,3-diethylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-3,3-diethylpiperazine is sourced from PubChem (CID 64952652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).