ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine

C13H28F3NO — CID 163257601

IUPACethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC.CC.COC1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO.2C2H6/c1-8(14-2)3-5-13(6-4-8)7-9(10,11)12;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyVANBBOAQDBXMRY-UHFFFAOYSA-N
MW271.37 g/mol
LogP4.10
Rot. Bonds2

About ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine

ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 163257601) has the molecular formula C13H28F3NO and a molecular weight of 271.37 g/mol. Its IUPAC name is ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Nameethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID163257601
Molecular FormulaC13H28F3NO
Molecular Weight271.37 g/mol
Exact Mass271.21
IUPAC Nameethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC.CC.COC1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO.2C2H6/c1-8(14-2)3-5-13(6-4-8)7-9(10,11)12;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyVANBBOAQDBXMRY-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)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-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine (CID 163257601) is ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine is CC.CC.COC1(C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is VANBBOAQDBXMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO.2C2H6/c1-8(14-2)3-5-13(6-4-8)7-9(10,11)12;2*1-2/h3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 271.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 163257601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).