5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine

C18H38N2 — CID 64942395

IUPAC5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(C(C)CCC(C)C)C(C(C)C)CN1
InChIInChI=1S/C18H38N2/c1-8-18(9-2)13-20(16(7)11-10-14(3)4)17(12-19-18)15(5)6/h14-17,19H,8-13H2,1-7H3
InChIKeyLOPWEFJXBXETBU-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds7

About 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine

5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine (PubChem CID 64942395) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
PubChem CID64942395
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(C(C)CCC(C)C)C(C(C)C)CN1
InChIInChI=1S/C18H38N2/c1-8-18(9-2)13-20(16(7)11-10-14(3)4)17(12-19-18)15(5)6/h14-17,19H,8-13H2,1-7H3
InChIKeyLOPWEFJXBXETBU-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine with MolForge

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Related Compounds

4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64939492
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
5-ethyl-1-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64939357
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
5-cyclopropyl-5-methyl-1-pentan-2-yl-2-propan-2-ylpiperazine
CID 64932384
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
5-ethyl-5-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylpiperazine
CID 64933642
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932669

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine (CID 64942395) is 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine is CCC1(CC)CN(C(C)CCC(C)C)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine?
The InChIKey is LOPWEFJXBXETBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-18(9-2)13-20(16(7)11-10-14(3)4)17(12-19-18)15(5)6/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine?
5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64942395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).