1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride

C17H23ClF4N2O — CID 171176847

IUPAC1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)C(F)(F)Oc1ccccc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C17H22F4N2O.ClH/c18-16(19)17(20,21)24-14-7-2-1-6-13(14)15(12-4-3-5-12)23-10-8-22-9-11-23;/h1-2,6-7,12,15-16,22H,3-5,8-11H2;1H/t15-;/m1./s1
InChIKeyIPJTULIQIOFYAG-XFULWGLBSA-N
MW382.83 g/mol
LogP4.09
Rot. Bonds6

About 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171176847) has the molecular formula C17H23ClF4N2O and a molecular weight of 382.83 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171176847
Molecular FormulaC17H23ClF4N2O
Molecular Weight382.83 g/mol
Exact Mass382.14
IUPAC Name1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)C(F)(F)Oc1ccccc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C17H22F4N2O.ClH/c18-16(19)17(20,21)24-14-7-2-1-6-13(14)15(12-4-3-5-12)23-10-8-22-9-11-23;/h1-2,6-7,12,15-16,22H,3-5,8-11H2;1H/t15-;/m1./s1
InChIKeyIPJTULIQIOFYAG-XFULWGLBSA-N
XLogP4.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.09
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-[(S)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279602
1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
CID 171171176
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-[(1R)-2-cyclopropyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171292233
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165820
1-[(1R)-3,3,3-trifluoro-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171303826
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-(trifluoromethoxy)phenol;dihydrochloride
CID 171301809
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171176847) is 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)C(F)(F)Oc1ccccc1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is IPJTULIQIOFYAG-XFULWGLBSA-N. The full InChI is InChI=1S/C17H22F4N2O.ClH/c18-16(19)17(20,21)24-14-7-2-1-6-13(14)15(12-4-3-5-12)23-10-8-22-9-11-23;/h1-2,6-7,12,15-16,22H,3-5,8-11H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 382.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171176847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).