2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol

C21H38N2O — CID 6446864

IUPAC2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(CCO)CC1
InChIInChI=1S/C21H38N2O/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-12-22-13-15-23(16-14-22)17-18-24/h7,9,11,24H,5-6,8,10,12-18H2,1-4H3/b20-9+,21-11+
InChIKeyXEUOMGQOFOKWMS-SICDNOCMSA-N
MW334.55 g/mol
LogP4.02
Rot. Bonds10

About 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol

2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol (PubChem CID 6446864) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol
PubChem CID6446864
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(CCO)CC1
InChIInChI=1S/C21H38N2O/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-12-22-13-15-23(16-14-22)17-18-24/h7,9,11,24H,5-6,8,10,12-18H2,1-4H3/b20-9+,21-11+
InChIKeyXEUOMGQOFOKWMS-SICDNOCMSA-N
XLogP4.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol (CID 6446864) is 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol?
The InChIKey is XEUOMGQOFOKWMS-SICDNOCMSA-N. The full InChI is InChI=1S/C21H38N2O/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-12-22-13-15-23(16-14-22)17-18-24/h7,9,11,24H,5-6,8,10,12-18H2,1-4H3/b20-9+,21-11+.
What are the key properties of 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol?
2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol has a molecular weight of 334.55 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 6446864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).