4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine

C14H20F3NO — CID 142853164

IUPAC4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
SMILESCC1=CC(C(F)(F)F)=CC(OCC2CCNCC2)C1
InChIInChI=1S/C14H20F3NO/c1-10-6-12(14(15,16)17)8-13(7-10)19-9-11-2-4-18-5-3-11/h6,8,11,13,18H,2-5,7,9H2,1H3
InChIKeyIMSNLVASRKMHBM-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.21
Rot. Bonds3

About 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine

4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine (PubChem CID 142853164) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
PubChem CID142853164
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
SMILESCC1=CC(C(F)(F)F)=CC(OCC2CCNCC2)C1
InChIInChI=1S/C14H20F3NO/c1-10-6-12(14(15,16)17)8-13(7-10)19-9-11-2-4-18-5-3-11/h6,8,11,13,18H,2-5,7,9H2,1H3
InChIKeyIMSNLVASRKMHBM-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine?
The IUPAC name of 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine (CID 142853164) is 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine.
What is the SMILES notation for 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine?
The canonical SMILES for 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine is CC1=CC(C(F)(F)F)=CC(OCC2CCNCC2)C1.
What is the InChIKey of 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine?
The InChIKey is IMSNLVASRKMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10-6-12(14(15,16)17)8-13(7-10)19-9-11-2-4-18-5-3-11/h6,8,11,13,18H,2-5,7,9H2,1H3.
What are the key properties of 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine?
4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine has a molecular weight of 275.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine is sourced from PubChem (CID 142853164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).