2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol

C16H34N2O2 — CID 138647980

IUPAC2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
SMILESCC(C)CCCCCOCCN1CCN(CCO)CC1
InChIInChI=1S/C16H34N2O2/c1-16(2)6-4-3-5-14-20-15-12-18-9-7-17(8-10-18)11-13-19/h16,19H,3-15H2,1-2H3
InChIKeyMGPOISQARHVBPS-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.83
Rot. Bonds11

About 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol

2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol (PubChem CID 138647980) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
PubChem CID138647980
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
SMILESCC(C)CCCCCOCCN1CCN(CCO)CC1
InChIInChI=1S/C16H34N2O2/c1-16(2)6-4-3-5-14-20-15-12-18-9-7-17(8-10-18)11-13-19/h16,19H,3-15H2,1-2H3
InChIKeyMGPOISQARHVBPS-UHFFFAOYSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
CID 142367989
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol
CID 142386101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol (CID 138647980) is 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol is CC(C)CCCCCOCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol?
The InChIKey is MGPOISQARHVBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-16(2)6-4-3-5-14-20-15-12-18-9-7-17(8-10-18)11-13-19/h16,19H,3-15H2,1-2H3.
What are the key properties of 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol?
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol has a molecular weight of 286.46 g/mol, XLogP of 1.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 138647980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).