1-(2,5-diethylpiperazin-1-yl)octan-1-one

C16H32N2O — CID 64978357

IUPAC1-(2,5-diethylpiperazin-1-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CC(CC)NCC1CC
InChIInChI=1S/C16H32N2O/c1-4-7-8-9-10-11-16(19)18-13-14(5-2)17-12-15(18)6-3/h14-15,17H,4-13H2,1-3H3
InChIKeyOUTBHSFKILSHHG-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.34
Rot. Bonds8

About 1-(2,5-diethylpiperazin-1-yl)octan-1-one

1-(2,5-diethylpiperazin-1-yl)octan-1-one (PubChem CID 64978357) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2,5-diethylpiperazin-1-yl)octan-1-one.

Molecular Properties

Compound Name1-(2,5-diethylpiperazin-1-yl)octan-1-one
PubChem CID64978357
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2,5-diethylpiperazin-1-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CC(CC)NCC1CC
InChIInChI=1S/C16H32N2O/c1-4-7-8-9-10-11-16(19)18-13-14(5-2)17-12-15(18)6-3/h14-15,17H,4-13H2,1-3H3
InChIKeyOUTBHSFKILSHHG-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.34
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

1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103164983
1-(2,5-diethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 64978358
2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64977891
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 64978172
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 79152036
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
1-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241396
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
1-[(2S,4R)-4-(hydroxymethyl)-2-(methoxymethyl)pyrrolidin-1-yl]heptan-1-one
CID 58468395

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpiperazin-1-yl)octan-1-one?
The IUPAC name of 1-(2,5-diethylpiperazin-1-yl)octan-1-one (CID 64978357) is 1-(2,5-diethylpiperazin-1-yl)octan-1-one.
What is the SMILES notation for 1-(2,5-diethylpiperazin-1-yl)octan-1-one?
The canonical SMILES for 1-(2,5-diethylpiperazin-1-yl)octan-1-one is CCCCCCCC(=O)N1CC(CC)NCC1CC.
What is the InChIKey of 1-(2,5-diethylpiperazin-1-yl)octan-1-one?
The InChIKey is OUTBHSFKILSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-7-8-9-10-11-16(19)18-13-14(5-2)17-12-15(18)6-3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-(2,5-diethylpiperazin-1-yl)octan-1-one?
1-(2,5-diethylpiperazin-1-yl)octan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpiperazin-1-yl)octan-1-one is sourced from PubChem (CID 64978357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).