1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

C16H24ClF3N2 — CID 171170430

IUPAC1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@H](c1ccccc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C16H23F3N2.ClH/c1-15(2,3)14(21-10-8-20-9-11-21)12-6-4-5-7-13(12)16(17,18)19;/h4-7,14,20H,8-11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyCRAHKYQCUFWCOK-UQKRIMTDSA-N
MW336.83 g/mol
LogP4.12
Rot. Bonds2

About 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171170430) has the molecular formula C16H24ClF3N2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
PubChem CID171170430
Molecular FormulaC16H24ClF3N2
Molecular Weight336.83 g/mol
Exact Mass336.16
IUPAC Name1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@H](c1ccccc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C16H23F3N2.ClH/c1-15(2,3)14(21-10-8-20-9-11-21)12-6-4-5-7-13(12)16(17,18)19;/h4-7,14,20H,8-11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyCRAHKYQCUFWCOK-UQKRIMTDSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171291887
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171459
1-[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171165534
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292085
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171291204
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171172325
1-[(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280114
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171296146

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (CID 171170430) is 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is CC(C)(C)[C@H](c1ccccc1C(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The InChIKey is CRAHKYQCUFWCOK-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H23F3N2.ClH/c1-15(2,3)14(21-10-8-20-9-11-21)12-6-4-5-7-13(12)16(17,18)19;/h4-7,14,20H,8-11H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171170430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).