2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol

C13H22N2O — CID 123283428

IUPAC2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(C2=CCCCC=C2)CC1
InChIInChI=1S/C13H22N2O/c16-12-11-14-7-9-15(10-8-14)13-5-3-1-2-4-6-13/h3,5-6,16H,1-2,4,7-12H2
InChIKeyIPLPFKMFGBPKIE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol

2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol (PubChem CID 123283428) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol
PubChem CID123283428
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(C2=CCCCC=C2)CC1
InChIInChI=1S/C13H22N2O/c16-12-11-14-7-9-15(10-8-14)13-5-3-1-2-4-6-13/h3,5-6,16H,1-2,4,7-12H2
InChIKeyIPLPFKMFGBPKIE-UHFFFAOYSA-N
XLogP1.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol (CID 123283428) is 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol is OCCN1CCN(C2=CCCCC=C2)CC1.
What is the InChIKey of 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol?
The InChIKey is IPLPFKMFGBPKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-12-11-14-7-9-15(10-8-14)13-5-3-1-2-4-6-13/h3,5-6,16H,1-2,4,7-12H2.
What are the key properties of 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol?
2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohepta-1,6-dien-1-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 123283428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).