2-(2-dodecylpiperazin-1-yl)ethanol

C18H38N2O — CID 21242415

IUPAC2-(2-dodecylpiperazin-1-yl)ethanol
SMILESCCCCCCCCCCCCC1CNCCN1CCO
InChIInChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-17-19-13-14-20(18)15-16-21/h18-19,21H,2-17H2,1H3
InChIKeyKTGRTNZELMHPJN-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.56
Rot. Bonds13

About 2-(2-dodecylpiperazin-1-yl)ethanol

2-(2-dodecylpiperazin-1-yl)ethanol (PubChem CID 21242415) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(2-dodecylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-dodecylpiperazin-1-yl)ethanol
PubChem CID21242415
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(2-dodecylpiperazin-1-yl)ethanol
SMILESCCCCCCCCCCCCC1CNCCN1CCO
InChIInChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-17-19-13-14-20(18)15-16-21/h18-19,21H,2-17H2,1H3
InChIKeyKTGRTNZELMHPJN-UHFFFAOYSA-N
XLogP3.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(2-dodecylpiperazin-1-yl)ethanol (CID 21242415) is 2-(2-dodecylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(2-dodecylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(2-dodecylpiperazin-1-yl)ethanol is CCCCCCCCCCCCC1CNCCN1CCO.
What is the InChIKey of 2-(2-dodecylpiperazin-1-yl)ethanol?
The InChIKey is KTGRTNZELMHPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-17-19-13-14-20(18)15-16-21/h18-19,21H,2-17H2,1H3.
What are the key properties of 2-(2-dodecylpiperazin-1-yl)ethanol?
2-(2-dodecylpiperazin-1-yl)ethanol has a molecular weight of 298.51 g/mol, XLogP of 3.56, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylpiperazin-1-yl)ethanol is sourced from PubChem (CID 21242415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).