1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride

C15H22ClF3N2O3 — CID 171178546

IUPAC1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1cc(OC)c([C@@H](N2CCNCC2)C(F)(F)F)cc1OC.Cl
InChIInChI=1S/C15H21F3N2O3.ClH/c1-21-11-9-13(23-3)12(22-2)8-10(11)14(15(16,17)18)20-6-4-19-5-7-20;/h8-9,14,19H,4-7H2,1-3H3;1H/t14-;/m1./s1
InChIKeyHWPXXJGXBGFILL-PFEQFJNWSA-N
MW370.80 g/mol
LogP2.64
Rot. Bonds5

About 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride

1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171178546) has the molecular formula C15H22ClF3N2O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171178546
Molecular FormulaC15H22ClF3N2O3
Molecular Weight370.80 g/mol
Exact Mass370.13
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1cc(OC)c([C@@H](N2CCNCC2)C(F)(F)F)cc1OC.Cl
InChIInChI=1S/C15H21F3N2O3.ClH/c1-21-11-9-13(23-3)12(22-2)8-10(11)14(15(16,17)18)20-6-4-19-5-7-20;/h8-9,14,19H,4-7H2,1-3H3;1H/t14-;/m1./s1
InChIKeyHWPXXJGXBGFILL-PFEQFJNWSA-N
XLogP2.64
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273581
1-[(1S)-1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287381
1-[(1S)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177902
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178852
1-[(1S)-1-(4-bromo-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171176088
1-[(1R)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178506
1-[(1S)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propyl]piperazine
CID 171163041
4-fluoro-2-methoxy-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171302201
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557
1-[(1S)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286184
4-bromo-2-methoxy-6-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171181082
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295389

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride (CID 171178546) is 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride is COc1cc(OC)c([C@@H](N2CCNCC2)C(F)(F)F)cc1OC.Cl.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is HWPXXJGXBGFILL-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H21F3N2O3.ClH/c1-21-11-9-13(23-3)12(22-2)8-10(11)14(15(16,17)18)20-6-4-19-5-7-20;/h8-9,14,19H,4-7H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 370.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171178546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).