5-ethyl-2-methyl-1-(7-methyloctyl)piperazine

C16H34N2 — CID 107818456

IUPAC5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
SMILESCCC1CN(CCCCCCC(C)C)C(C)CN1
InChIInChI=1S/C16H34N2/c1-5-16-13-18(15(4)12-17-16)11-9-7-6-8-10-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyZLMDFWDKCVAODM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine

5-ethyl-2-methyl-1-(7-methyloctyl)piperazine (PubChem CID 107818456) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
PubChem CID107818456
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
SMILESCCC1CN(CCCCCCC(C)C)C(C)CN1
InChIInChI=1S/C16H34N2/c1-5-16-13-18(15(4)12-17-16)11-9-7-6-8-10-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyZLMDFWDKCVAODM-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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

2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
5-ethyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64841710
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
2-methyl-1-(4-methylpentyl)-5-propan-2-ylpiperazine
CID 64937614
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
1-decyl-3-ethyl-7-methyl-1,4-diazepane
CID 64869451
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
5-ethyl-1-(3-methoxy-2-methylpropyl)-2-methylpiperazine
CID 64945817

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine?
The IUPAC name of 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine (CID 107818456) is 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine.
What is the SMILES notation for 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine?
The canonical SMILES for 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine is CCC1CN(CCCCCCC(C)C)C(C)CN1.
What is the InChIKey of 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine?
The InChIKey is ZLMDFWDKCVAODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-16-13-18(15(4)12-17-16)11-9-7-6-8-10-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine?
5-ethyl-2-methyl-1-(7-methyloctyl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-(7-methyloctyl)piperazine is sourced from PubChem (CID 107818456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).