2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride

C14H21Cl2F3N2O — CID 171277630

IUPAC2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCc1cc([C@@H](N2CCNCC2)C(F)(F)F)cc(C)c1O.Cl.Cl
InChIInChI=1S/C14H19F3N2O.2ClH/c1-9-7-11(8-10(2)12(9)20)13(14(15,16)17)19-5-3-18-4-6-19;;/h7-8,13,18,20H,3-6H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyQSLDYRSPQOFXLJ-FFXKMJQXSA-N
MW361.24 g/mol
LogP3.36
Rot. Bonds2

About 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride

2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride (PubChem CID 171277630) has the molecular formula C14H21Cl2F3N2O and a molecular weight of 361.24 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
PubChem CID171277630
Molecular FormulaC14H21Cl2F3N2O
Molecular Weight361.24 g/mol
Exact Mass360.10
IUPAC Name2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCc1cc([C@@H](N2CCNCC2)C(F)(F)F)cc(C)c1O.Cl.Cl
InChIInChI=1S/C14H19F3N2O.2ClH/c1-9-7-11(8-10(2)12(9)20)13(14(15,16)17)19-5-3-18-4-6-19;;/h7-8,13,18,20H,3-6H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyQSLDYRSPQOFXLJ-FFXKMJQXSA-N
XLogP3.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171175188
4-chloro-2-methyl-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171177895
1-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171277142
1-[(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171278008
1-[(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethyl]piperazine;hydrochloride
CID 171177750
1-[(1S)-1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171286289
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178281
3-fluoro-6-methyl-2-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171298401
1-[(1R)-1-(3-bromo-4-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179212
2-bromo-6-ethoxy-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171180025
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171175621
4-bromo-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285491

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The IUPAC name of 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride (CID 171277630) is 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride is Cc1cc([C@@H](N2CCNCC2)C(F)(F)F)cc(C)c1O.Cl.Cl.
What is the InChIKey of 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The InChIKey is QSLDYRSPQOFXLJ-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H19F3N2O.2ClH/c1-9-7-11(8-10(2)12(9)20)13(14(15,16)17)19-5-3-18-4-6-19;;/h7-8,13,18,20H,3-6H2,1-2H3;2*1H/t13-;;/m1../s1.
What are the key properties of 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride?
2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride has a molecular weight of 361.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride is sourced from PubChem (CID 171277630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).