1-(4-octylpiperazin-1-yl)butan-1-one

C16H32N2O — CID 170041976

IUPAC1-(4-octylpiperazin-1-yl)butan-1-one
SMILESCCCCCCCCN1CCN(C(=O)CCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-11-17-12-14-18(15-13-17)16(19)10-4-2/h3-15H2,1-2H3
InChIKeyXCXMZINSSLDOIE-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.29
Rot. Bonds9

About 1-(4-octylpiperazin-1-yl)butan-1-one

1-(4-octylpiperazin-1-yl)butan-1-one (PubChem CID 170041976) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(4-octylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-octylpiperazin-1-yl)butan-1-one
PubChem CID170041976
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(4-octylpiperazin-1-yl)butan-1-one
SMILESCCCCCCCCN1CCN(C(=O)CCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-11-17-12-14-18(15-13-17)16(19)10-4-2/h3-15H2,1-2H3
InChIKeyXCXMZINSSLDOIE-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
4-octylpiperazine-1-carboxylic acid
CID 22047855
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]butan-1-one
CID 43251859
1-[4-(5-aminopentyl)-1,4-diazepan-1-yl]hexan-1-one
CID 43252098
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4-nonylpiperazine-1-carboxamide
CID 13213299
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612

Frequently Asked Questions

What is the IUPAC name of 1-(4-octylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(4-octylpiperazin-1-yl)butan-1-one (CID 170041976) is 1-(4-octylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-octylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-octylpiperazin-1-yl)butan-1-one is CCCCCCCCN1CCN(C(=O)CCC)CC1.
What is the InChIKey of 1-(4-octylpiperazin-1-yl)butan-1-one?
The InChIKey is XCXMZINSSLDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-6-7-8-9-11-17-12-14-18(15-13-17)16(19)10-4-2/h3-15H2,1-2H3.
What are the key properties of 1-(4-octylpiperazin-1-yl)butan-1-one?
1-(4-octylpiperazin-1-yl)butan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-octylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 170041976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).