ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine

C20H30F3NO — CID 143235269

IUPACethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine
SMILESCC.Cc1ccc(C(F)(F)F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H24F3NO.C2H6/c1-13-2-3-15(18(19,20)21)12-17(13)14-4-8-22(9-5-14)16-6-10-23-11-7-16;1-2/h2-3,12,14,16H,4-11H2,1H3;1-2H3
InChIKeyQRHAXUWSDWSJNR-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.40
Rot. Bonds2

About ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine

ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine (PubChem CID 143235269) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Nameethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine
PubChem CID143235269
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Nameethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine
SMILESCC.Cc1ccc(C(F)(F)F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H24F3NO.C2H6/c1-13-2-3-15(18(19,20)21)12-17(13)14-4-8-22(9-5-14)16-6-10-23-11-7-16;1-2/h2-3,12,14,16H,4-11H2,1H3;1-2H3
InChIKeyQRHAXUWSDWSJNR-UHFFFAOYSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine 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 ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
The IUPAC name of ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine (CID 143235269) is ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine.
What is the SMILES notation for ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
The canonical SMILES for ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine is CC.Cc1ccc(C(F)(F)F)cc1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
The InChIKey is QRHAXUWSDWSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO.C2H6/c1-13-2-3-15(18(19,20)21)12-17(13)14-4-8-22(9-5-14)16-6-10-23-11-7-16;1-2/h2-3,12,14,16H,4-11H2,1H3;1-2H3.
What are the key properties of ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine has a molecular weight of 357.46 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 143235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).