2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol

C16H24N2O — CID 79658822

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(C(O)CC2Cc3ccccc32)C1
InChIInChI=1S/C16H24N2O/c1-17-7-8-18(2)15(11-17)16(19)10-13-9-12-5-3-4-6-14(12)13/h3-6,13,15-16,19H,7-11H2,1-2H3
InChIKeyNPDOANAPVLORCM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.32
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 79658822) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID79658822
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(C(O)CC2Cc3ccccc32)C1
InChIInChI=1S/C16H24N2O/c1-17-7-8-18(2)15(11-17)16(19)10-13-9-12-5-3-4-6-14(12)13/h3-6,13,15-16,19H,7-11H2,1-2H3
InChIKeyNPDOANAPVLORCM-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (CID 79658822) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is CN1CCN(C)C(C(O)CC2Cc3ccccc32)C1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is NPDOANAPVLORCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-7-8-18(2)15(11-17)16(19)10-13-9-12-5-3-4-6-14(12)13/h3-6,13,15-16,19H,7-11H2,1-2H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol has a molecular weight of 260.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 79658822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).