ethane;1-octylpiperazine

C16H38N2 — CID 144711845

IUPACethane;1-octylpiperazine
SMILESCC.CC.CCCCCCCCN1CCNCC1
InChIInChI=1S/C12H26N2.2C2H6/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14;2*1-2/h13H,2-12H2,1H3;2*1-2H3
InChIKeyARFMTNQDYIDXIP-UHFFFAOYSA-N
MW258.49 g/mol
LogP4.30
Rot. Bonds7

About ethane;1-octylpiperazine

ethane;1-octylpiperazine (PubChem CID 144711845) has the molecular formula C16H38N2 and a molecular weight of 258.49 g/mol. Its IUPAC name is ethane;1-octylpiperazine.

Molecular Properties

Compound Nameethane;1-octylpiperazine
PubChem CID144711845
Molecular FormulaC16H38N2
Molecular Weight258.49 g/mol
Exact Mass258.30
IUPAC Nameethane;1-octylpiperazine
SMILESCC.CC.CCCCCCCCN1CCNCC1
InChIInChI=1S/C12H26N2.2C2H6/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14;2*1-2/h13H,2-12H2,1H3;2*1-2H3
InChIKeyARFMTNQDYIDXIP-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 54.30
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

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CID 130183651
diazanium;1-docosylpiperazine;dibromide
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CID 101356970
N-pentyl-6-piperazin-1-ylhexan-1-amine
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zinc;1-hexadecyl-1,4,7,10-tetrazacyclododecane;hydroxide;perchlorate
CID 11071941
1-butyl-1,4-diazepane;ethane
CID 168976024
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N'-(2-piperazin-1-ylethyl)-N,N'-di(tetradecyl)-N-tridecylethane-1,2-diamine
CID 171538757
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
1-(3-decylsulfonylpropyl)piperazine
CID 150001783

Frequently Asked Questions

What is the IUPAC name of ethane;1-octylpiperazine?
The IUPAC name of ethane;1-octylpiperazine (CID 144711845) is ethane;1-octylpiperazine.
What is the SMILES notation for ethane;1-octylpiperazine?
The canonical SMILES for ethane;1-octylpiperazine is CC.CC.CCCCCCCCN1CCNCC1.
What is the InChIKey of ethane;1-octylpiperazine?
The InChIKey is ARFMTNQDYIDXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.2C2H6/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14;2*1-2/h13H,2-12H2,1H3;2*1-2H3.
What are the key properties of ethane;1-octylpiperazine?
ethane;1-octylpiperazine has a molecular weight of 258.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-octylpiperazine is sourced from PubChem (CID 144711845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).