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

C13H18F3NO — CID 162598812

IUPAC3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
SMILESFC(F)(F)C1=CC=C(OCC2CCCNC2)CC1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-3-5-12(6-4-11)18-9-10-2-1-7-17-8-10/h3,5,10,17H,1-2,4,6-9H2
InChIKeyNOFDHUFZQZYCMB-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.17
Rot. Bonds3

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

3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine (PubChem CID 162598812) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
PubChem CID162598812
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
SMILESFC(F)(F)C1=CC=C(OCC2CCCNC2)CC1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-3-5-12(6-4-11)18-9-10-2-1-7-17-8-10/h3,5,10,17H,1-2,4,6-9H2
InChIKeyNOFDHUFZQZYCMB-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
The IUPAC name of 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine (CID 162598812) is 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
The canonical SMILES for 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine is FC(F)(F)C1=CC=C(OCC2CCCNC2)CC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
The InChIKey is NOFDHUFZQZYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)11-3-5-12(6-4-11)18-9-10-2-1-7-17-8-10/h3,5,10,17H,1-2,4,6-9H2.
What are the key properties of 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine?
3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine is sourced from PubChem (CID 162598812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).