1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride

C18H26Cl2F4N2O — CID 171292277

IUPAC1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)C(F)(F)Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C18H24F4N2O.2ClH/c19-17(20)18(21,22)25-15-7-5-14(6-8-15)16(13-3-1-2-4-13)24-11-9-23-10-12-24;;/h5-8,13,16-17,23H,1-4,9-12H2;2*1H/t16-;;/m1../s1
InChIKeyZGEKNAWBYCYSGK-GGMCWBHBSA-N
MW433.32 g/mol
LogP4.90
Rot. Bonds6

About 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171292277) has the molecular formula C18H26Cl2F4N2O and a molecular weight of 433.32 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171292277
Molecular FormulaC18H26Cl2F4N2O
Molecular Weight433.32 g/mol
Exact Mass432.14
IUPAC Name1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)C(F)(F)Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C18H24F4N2O.2ClH/c19-17(20)18(21,22)25-15-7-5-14(6-8-15)16(13-3-1-2-4-13)24-11-9-23-10-12-24;;/h5-8,13,16-17,23H,1-4,9-12H2;2*1H/t16-;;/m1../s1
InChIKeyZGEKNAWBYCYSGK-GGMCWBHBSA-N
XLogP4.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
1-[(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171182597
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(1S)-2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279665

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171292277) is 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.FC(F)C(F)(F)Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is ZGEKNAWBYCYSGK-GGMCWBHBSA-N. The full InChI is InChI=1S/C18H24F4N2O.2ClH/c19-17(20)18(21,22)25-15-7-5-14(6-8-15)16(13-3-1-2-4-13)24-11-9-23-10-12-24;;/h5-8,13,16-17,23H,1-4,9-12H2;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 433.32 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).