3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine

C14H20F3NO — CID 162598803

IUPAC3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
SMILESCC1CC(C(F)(F)F)=CC=C1OCC1CCCNC1
InChIInChI=1S/C14H20F3NO/c1-10-7-12(14(15,16)17)4-5-13(10)19-9-11-3-2-6-18-8-11/h4-5,10-11,18H,2-3,6-9H2,1H3
InChIKeyXRHIMBKPNABMCN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.41
Rot. Bonds3

About 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine

3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine (PubChem CID 162598803) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
PubChem CID162598803
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
SMILESCC1CC(C(F)(F)F)=CC=C1OCC1CCCNC1
InChIInChI=1S/C14H20F3NO/c1-10-7-12(14(15,16)17)4-5-13(10)19-9-11-3-2-6-18-8-11/h4-5,10-11,18H,2-3,6-9H2,1H3
InChIKeyXRHIMBKPNABMCN-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
The IUPAC name of 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine (CID 162598803) is 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine.
What is the SMILES notation for 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
The canonical SMILES for 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine is CC1CC(C(F)(F)F)=CC=C1OCC1CCCNC1.
What is the InChIKey of 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
The InChIKey is XRHIMBKPNABMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10-7-12(14(15,16)17)4-5-13(10)19-9-11-3-2-6-18-8-11/h4-5,10-11,18H,2-3,6-9H2,1H3.
What are the key properties of 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine has a molecular weight of 275.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine is sourced from PubChem (CID 162598803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).