5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine

C16H34N2 — CID 64936589

IUPAC5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
SMILESCCCCCCC(C)N1CC(C)NCC1C(C)C
InChIInChI=1S/C16H34N2/c1-6-7-8-9-10-15(5)18-12-14(4)17-11-16(18)13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyWABYXPFWFPEYML-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds7

About 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine

5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine (PubChem CID 64936589) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
PubChem CID64936589
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
SMILESCCCCCCC(C)N1CC(C)NCC1C(C)C
InChIInChI=1S/C16H34N2/c1-6-7-8-9-10-15(5)18-12-14(4)17-11-16(18)13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyWABYXPFWFPEYML-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
CID 106027152
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64938383
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
CID 114420424
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
CID 64937748
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498
4-methyl-5-nonan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213400
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine?
The IUPAC name of 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine (CID 64936589) is 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine is CCCCCCC(C)N1CC(C)NCC1C(C)C.
What is the InChIKey of 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine?
The InChIKey is WABYXPFWFPEYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-8-9-10-15(5)18-12-14(4)17-11-16(18)13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine?
5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64936589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).