1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

C16H22Cl2F4N2 — CID 171292751

IUPAC1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(F)(F)F)cc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H20F4N2.2ClH/c17-14-5-4-12(16(18,19)20)10-13(14)15(11-2-1-3-11)22-8-6-21-7-9-22;;/h4-5,10-11,15,21H,1-3,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyOPUDKNSOTOYLPG-QCUBGVIVSA-N
MW389.26 g/mol
LogP4.43
Rot. Bonds3

About 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171292751) has the molecular formula C16H22Cl2F4N2 and a molecular weight of 389.26 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171292751
Molecular FormulaC16H22Cl2F4N2
Molecular Weight389.26 g/mol
Exact Mass388.11
IUPAC Name1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(F)(F)F)cc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H20F4N2.2ClH/c17-14-5-4-12(16(18,19)20)10-13(14)15(11-2-1-3-11)22-8-6-21-7-9-22;;/h4-5,10-11,15,21H,1-3,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyOPUDKNSOTOYLPG-QCUBGVIVSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180538
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291687
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171170667
1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;dihydrochloride
CID 171291596
1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171165291
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
1-[(S)-cyclobutyl-(2-fluoro-5-iodophenyl)methyl]piperazine;hydrochloride
CID 171181497
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171178149
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (CID 171292751) is 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(C(F)(F)F)cc1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is OPUDKNSOTOYLPG-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H20F4N2.2ClH/c17-14-5-4-12(16(18,19)20)10-13(14)15(11-2-1-3-11)22-8-6-21-7-9-22;;/h4-5,10-11,15,21H,1-3,6-9H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 389.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).