1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

C17H22F4N2O — CID 87924366

IUPAC1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESCN1CCN(C2CCCc3ccc(OC(F)(F)C(F)F)cc32)CC1
InChIInChI=1S/C17H22F4N2O/c1-22-7-9-23(10-8-22)15-4-2-3-12-5-6-13(11-14(12)15)24-17(20,21)16(18)19/h5-6,11,15-16H,2-4,7-10H2,1H3
InChIKeyUBAFBTGERXHEMT-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.55
Rot. Bonds4

About 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (PubChem CID 87924366) has the molecular formula C17H22F4N2O and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
PubChem CID87924366
Molecular FormulaC17H22F4N2O
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC Name1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESCN1CCN(C2CCCc3ccc(OC(F)(F)C(F)F)cc32)CC1
InChIInChI=1S/C17H22F4N2O/c1-22-7-9-23(10-8-22)15-4-2-3-12-5-6-13(11-14(12)15)24-17(20,21)16(18)19/h5-6,11,15-16H,2-4,7-10H2,1H3
InChIKeyUBAFBTGERXHEMT-UHFFFAOYSA-N
XLogP3.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (CID 87924366) is 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is CN1CCN(C2CCCc3ccc(OC(F)(F)C(F)F)cc32)CC1.
What is the InChIKey of 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The InChIKey is UBAFBTGERXHEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N2O/c1-22-7-9-23(10-8-22)15-4-2-3-12-5-6-13(11-14(12)15)24-17(20,21)16(18)19/h5-6,11,15-16H,2-4,7-10H2,1H3.
What are the key properties of 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine has a molecular weight of 346.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is sourced from PubChem (CID 87924366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).