1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine

C14H20F3NO — CID 166883185

IUPAC1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine
SMILESCC1(CN2CCCCC2)C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C14H20F3NO/c1-13(11-18-9-3-2-4-10-18)7-5-12(6-8-13)19-14(15,16)17/h5-7H,2-4,8-11H2,1H3
InChIKeyQBCUYGFFMVRVSG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds3

About 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine

1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine (PubChem CID 166883185) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine
PubChem CID166883185
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine
SMILESCC1(CN2CCCCC2)C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C14H20F3NO/c1-13(11-18-9-3-2-4-10-18)7-5-12(6-8-13)19-14(15,16)17/h5-7H,2-4,8-11H2,1H3
InChIKeyQBCUYGFFMVRVSG-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]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 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine?
The IUPAC name of 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine (CID 166883185) is 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine is CC1(CN2CCCCC2)C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine?
The InChIKey is QBCUYGFFMVRVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(11-18-9-3-2-4-10-18)7-5-12(6-8-13)19-14(15,16)17/h5-7H,2-4,8-11H2,1H3.
What are the key properties of 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine?
1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine has a molecular weight of 275.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidine is sourced from PubChem (CID 166883185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).