1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine

C17H24F5NO — CID 162579431

IUPAC1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
SMILESCC1=CC=C(C(F)(F)C(F)(F)F)C(C)(OCCN2CCCCC2)C1
InChIInChI=1S/C17H24F5NO/c1-13-6-7-14(16(18,19)17(20,21)22)15(2,12-13)24-11-10-23-8-4-3-5-9-23/h6-7H,3-5,8-12H2,1-2H3
InChIKeyGSHHICBSVOMTNS-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.72
Rot. Bonds5

About 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine

1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine (PubChem CID 162579431) has the molecular formula C17H24F5NO and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
PubChem CID162579431
Molecular FormulaC17H24F5NO
Molecular Weight353.38 g/mol
Exact Mass353.18
IUPAC Name1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
SMILESCC1=CC=C(C(F)(F)C(F)(F)F)C(C)(OCCN2CCCCC2)C1
InChIInChI=1S/C17H24F5NO/c1-13-6-7-14(16(18,19)17(20,21)22)15(2,12-13)24-11-10-23-8-4-3-5-9-23/h6-7H,3-5,8-12H2,1-2H3
InChIKeyGSHHICBSVOMTNS-UHFFFAOYSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine (CID 162579431) is 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine is CC1=CC=C(C(F)(F)C(F)(F)F)C(C)(OCCN2CCCCC2)C1.
What is the InChIKey of 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine?
The InChIKey is GSHHICBSVOMTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F5NO/c1-13-6-7-14(16(18,19)17(20,21)22)15(2,12-13)24-11-10-23-8-4-3-5-9-23/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine?
1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine has a molecular weight of 353.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine is sourced from PubChem (CID 162579431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).