2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride

C13H18ClF3N2O — CID 3041684

IUPAC2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-2-1-3-12(10-11)18-6-4-17(5-7-18)8-9-19;/h1-3,10,19H,4-9H2;1H
InChIKeyKNFHVCMMLFRKSU-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 3041684) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride
PubChem CID3041684
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-2-1-3-12(10-11)18-6-4-17(5-7-18)8-9-19;/h1-3,10,19H,4-9H2;1H
InChIKeyKNFHVCMMLFRKSU-UHFFFAOYSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride (CID 3041684) is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is KNFHVCMMLFRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-2-1-3-12(10-11)18-6-4-17(5-7-18)8-9-19;/h1-3,10,19H,4-9H2;1H.
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride?
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 3041684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).