2,5-diethyl-1-octan-2-ylpiperazine

C16H34N2 — CID 64946640

IUPAC2,5-diethyl-1-octan-2-ylpiperazine
SMILESCCCCCCC(C)N1CC(CC)NCC1CC
InChIInChI=1S/C16H34N2/c1-5-8-9-10-11-14(4)18-13-15(6-2)17-12-16(18)7-3/h14-17H,5-13H2,1-4H3
InChIKeyDAURRHNRRTYXKN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds8

About 2,5-diethyl-1-octan-2-ylpiperazine

2,5-diethyl-1-octan-2-ylpiperazine (PubChem CID 64946640) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,5-diethyl-1-octan-2-ylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-octan-2-ylpiperazine
PubChem CID64946640
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2,5-diethyl-1-octan-2-ylpiperazine
SMILESCCCCCCC(C)N1CC(CC)NCC1CC
InChIInChI=1S/C16H34N2/c1-5-8-9-10-11-14(4)18-13-15(6-2)17-12-16(18)7-3/h14-17H,5-13H2,1-4H3
InChIKeyDAURRHNRRTYXKN-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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

2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
2-ethyl-1-(6-methylheptan-2-yl)-5-propylpiperazine
CID 64948165
2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
3-(2,5-diethylpiperazin-1-yl)butanoic acid
CID 64979155
2-ethyl-1-hexan-2-ylaziridine
CID 167041728
1-but-3-en-2-yl-2,5-diethylpiperazine
CID 64978837
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
2-ethyl-1-(1-methoxypropan-2-yl)-5-propylpiperazine
CID 64932571
5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine
CID 64948368
8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-octan-2-ylpiperazine?
The IUPAC name of 2,5-diethyl-1-octan-2-ylpiperazine (CID 64946640) is 2,5-diethyl-1-octan-2-ylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-octan-2-ylpiperazine?
The canonical SMILES for 2,5-diethyl-1-octan-2-ylpiperazine is CCCCCCC(C)N1CC(CC)NCC1CC.
What is the InChIKey of 2,5-diethyl-1-octan-2-ylpiperazine?
The InChIKey is DAURRHNRRTYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-8-9-10-11-14(4)18-13-15(6-2)17-12-16(18)7-3/h14-17H,5-13H2,1-4H3.
What are the key properties of 2,5-diethyl-1-octan-2-ylpiperazine?
2,5-diethyl-1-octan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-octan-2-ylpiperazine is sourced from PubChem (CID 64946640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).