1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

C15H20Cl2F4N2O — CID 171296719

IUPAC1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OC(F)(F)F)cc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C15H18F4N2O.2ClH/c16-13-4-3-11(22-15(17,18)19)9-12(13)14(10-1-2-10)21-7-5-20-6-8-21;;/h3-4,9-10,14,20H,1-2,5-8H2;2*1H/t14-;;/m1../s1
InChIKeyCBKAAPKGLYUKIC-FMOMHUKBSA-N
MW391.24 g/mol
LogP3.92
Rot. Bonds4

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

1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171296719) has the molecular formula C15H20Cl2F4N2O and a molecular weight of 391.24 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171296719
Molecular FormulaC15H20Cl2F4N2O
Molecular Weight391.24 g/mol
Exact Mass390.09
IUPAC Name1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OC(F)(F)F)cc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C15H18F4N2O.2ClH/c16-13-4-3-11(22-15(17,18)19)9-12(13)14(10-1-2-10)21-7-5-20-6-8-21;;/h3-4,9-10,14,20H,1-2,5-8H2;2*1H/t14-;;/m1../s1
InChIKeyCBKAAPKGLYUKIC-FMOMHUKBSA-N
XLogP3.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171284101
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171178149
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171284104
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171167887
1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171296726
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292751
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173290

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171296719) is 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(OC(F)(F)F)cc1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is CBKAAPKGLYUKIC-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H18F4N2O.2ClH/c16-13-4-3-11(22-15(17,18)19)9-12(13)14(10-1-2-10)21-7-5-20-6-8-21;;/h3-4,9-10,14,20H,1-2,5-8H2;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 391.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).