4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine

C17H24F5NO — CID 142853237

IUPAC4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine
SMILESCC1=CC=C(C(F)(F)C(F)(F)F)C(C)(OCC2CCN(C)CC2)C1
InChIInChI=1S/C17H24F5NO/c1-12-4-5-14(16(18,19)17(20,21)22)15(2,10-12)24-11-13-6-8-23(3)9-7-13/h4-5,13H,6-11H2,1-3H3
InChIKeyMNUWFZNGQZGKJT-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.58
Rot. Bonds4

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

4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine (PubChem CID 142853237) has the molecular formula C17H24F5NO and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine
PubChem CID142853237
Molecular FormulaC17H24F5NO
Molecular Weight353.38 g/mol
Exact Mass353.18
IUPAC Name4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine
SMILESCC1=CC=C(C(F)(F)C(F)(F)F)C(C)(OCC2CCN(C)CC2)C1
InChIInChI=1S/C17H24F5NO/c1-12-4-5-14(16(18,19)17(20,21)22)15(2,10-12)24-11-13-6-8-23(3)9-7-13/h4-5,13H,6-11H2,1-3H3
InChIKeyMNUWFZNGQZGKJT-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine?
The IUPAC name of 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine (CID 142853237) is 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine?
The canonical SMILES for 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine is CC1=CC=C(C(F)(F)C(F)(F)F)C(C)(OCC2CCN(C)CC2)C1.
What is the InChIKey of 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine?
The InChIKey is MNUWFZNGQZGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F5NO/c1-12-4-5-14(16(18,19)17(20,21)22)15(2,10-12)24-11-13-6-8-23(3)9-7-13/h4-5,13H,6-11H2,1-3H3.
What are the key properties of 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine?
4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine has a molecular weight of 353.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]-1-methylpiperidine is sourced from PubChem (CID 142853237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).