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

C15H20ClF3N2O2 — CID 3043398

IUPAC2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride
SMILESCC(=O)OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-12(21)22-10-9-19-5-7-20(8-6-19)14-4-2-3-13(11-14)15(16,17)18;/h2-4,11H,5-10H2,1H3;1H
InChIKeyOPAAIOKKIQZODF-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.81
Rot. Bonds4

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

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride (PubChem CID 3043398) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride
PubChem CID3043398
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride
SMILESCC(=O)OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-12(21)22-10-9-19-5-7-20(8-6-19)14-4-2-3-13(11-14)15(16,17)18;/h2-4,11H,5-10H2,1H3;1H
InChIKeyOPAAIOKKIQZODF-UHFFFAOYSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride (CID 3043398) is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride is CC(=O)OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride?
The InChIKey is OPAAIOKKIQZODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c1-12(21)22-10-9-19-5-7-20(8-6-19)14-4-2-3-13(11-14)15(16,17)18;/h2-4,11H,5-10H2,1H3;1H.
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride?
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate;hydrochloride is sourced from PubChem (CID 3043398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).