2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride

C13H18ClF3N2O — CID 20980320

IUPAC2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride
SMILESCl.FC(F)(F)c1ccc2cc1-2.OCCN1CCNCC1
InChIInChI=1S/C7H3F3.C6H14N2O.ClH/c8-7(9,10)6-2-1-4-3-5(4)6;9-6-5-8-3-1-7-2-4-8;/h1-3H;7,9H,1-6H2;1H
InChIKeyPGSWMTVKUNARDI-UHFFFAOYSA-N
MW310.75 g/mol
LogP1.99
Rot. Bonds2

About 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride

2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride (PubChem CID 20980320) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride
PubChem CID20980320
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride
SMILESCl.FC(F)(F)c1ccc2cc1-2.OCCN1CCNCC1
InChIInChI=1S/C7H3F3.C6H14N2O.ClH/c8-7(9,10)6-2-1-4-3-5(4)6;9-6-5-8-3-1-7-2-4-8;/h1-3H;7,9H,1-6H2;1H
InChIKeyPGSWMTVKUNARDI-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride?
The IUPAC name of 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride (CID 20980320) is 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride is Cl.FC(F)(F)c1ccc2cc1-2.OCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride?
The InChIKey is PGSWMTVKUNARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3.C6H14N2O.ClH/c8-7(9,10)6-2-1-4-3-5(4)6;9-6-5-8-3-1-7-2-4-8;/h1-3H;7,9H,1-6H2;1H.
What are the key properties of 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride?
2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanol;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene;hydrochloride is sourced from PubChem (CID 20980320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).