1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine

C19H26F4N2O — CID 171171176

IUPAC1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
SMILESFC(F)C(F)(F)Oc1ccccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C19H26F4N2O/c20-18(21)19(22,23)26-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)25-12-10-24-11-13-25/h4-5,8-9,14,17-18,24H,1-3,6-7,10-13H2/t17-/m1/s1
InChIKeyPBIVGMGSTPWFEZ-QGZVFWFLSA-N
MW374.42 g/mol
LogP4.45
Rot. Bonds6

About 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine

1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine (PubChem CID 171171176) has the molecular formula C19H26F4N2O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
PubChem CID171171176
Molecular FormulaC19H26F4N2O
Molecular Weight374.42 g/mol
Exact Mass374.20
IUPAC Name1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
SMILESFC(F)C(F)(F)Oc1ccccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C19H26F4N2O/c20-18(21)19(22,23)26-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)25-12-10-24-11-13-25/h4-5,8-9,14,17-18,24H,1-3,6-7,10-13H2/t17-/m1/s1
InChIKeyPBIVGMGSTPWFEZ-QGZVFWFLSA-N
XLogP4.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.45
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)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176847
1-[(S)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279602
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
1-[(1R)-2-cyclopropyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171292233
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
CID 171172586
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292277
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165820

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine (CID 171171176) is 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine is FC(F)C(F)(F)Oc1ccccc1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine?
The InChIKey is PBIVGMGSTPWFEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26F4N2O/c20-18(21)19(22,23)26-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)25-12-10-24-11-13-25/h4-5,8-9,14,17-18,24H,1-3,6-7,10-13H2/t17-/m1/s1.
What are the key properties of 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine?
1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine has a molecular weight of 374.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171171176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).