1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

C15H25Cl2FN2 — CID 171273226

IUPAC1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2.2ClH/c1-15(2,3)14(18-10-8-17-9-11-18)12-6-4-5-7-13(12)16;;/h4-7,14,17H,8-11H2,1-3H3;2*1H/t14-;;/m1../s1
InChIKeyLBQBJEBFUPWWBQ-FMOMHUKBSA-N
MW323.28 g/mol
LogP3.66
Rot. Bonds2

About 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171273226) has the molecular formula C15H25Cl2FN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171273226
Molecular FormulaC15H25Cl2FN2
Molecular Weight323.28 g/mol
Exact Mass322.14
IUPAC Name1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2.2ClH/c1-15(2,3)14(18-10-8-17-9-11-18)12-6-4-5-7-13(12)16;;/h4-7,14,17H,8-11H2,1-3H3;2*1H/t14-;;/m1../s1
InChIKeyLBQBJEBFUPWWBQ-FMOMHUKBSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(1S)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171284085
1-[(1S)-2,2-dimethyl-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171280381
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-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171291697
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171172325
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171291887
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171279072
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine
CID 171173264
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171166690
1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171169412

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171273226) is 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@@H](c1ccccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is LBQBJEBFUPWWBQ-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H23FN2.2ClH/c1-15(2,3)14(18-10-8-17-9-11-18)12-6-4-5-7-13(12)16;;/h4-7,14,17H,8-11H2,1-3H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 323.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).