4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine

C16H23F4NO2 — CID 162577750

IUPAC4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
SMILESFC(F)C(F)(F)COCC1C=CC(COC2CCNCC2)=CC1
InChIInChI=1S/C16H23F4NO2/c17-15(18)16(19,20)11-22-9-12-1-3-13(4-2-12)10-23-14-5-7-21-8-6-14/h1,3-4,12,14-15,21H,2,5-11H2
InChIKeyJDCVEZKUKPPYSM-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.17
Rot. Bonds8

About 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine

4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine (PubChem CID 162577750) has the molecular formula C16H23F4NO2 and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
PubChem CID162577750
Molecular FormulaC16H23F4NO2
Molecular Weight337.36 g/mol
Exact Mass337.17
IUPAC Name4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
SMILESFC(F)C(F)(F)COCC1C=CC(COC2CCNCC2)=CC1
InChIInChI=1S/C16H23F4NO2/c17-15(18)16(19,20)11-22-9-12-1-3-13(4-2-12)10-23-14-5-7-21-8-6-14/h1,3-4,12,14-15,21H,2,5-11H2
InChIKeyJDCVEZKUKPPYSM-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine?
The IUPAC name of 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine (CID 162577750) is 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine.
What is the SMILES notation for 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine?
The canonical SMILES for 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine is FC(F)C(F)(F)COCC1C=CC(COC2CCNCC2)=CC1.
What is the InChIKey of 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine?
The InChIKey is JDCVEZKUKPPYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4NO2/c17-15(18)16(19,20)11-22-9-12-1-3-13(4-2-12)10-23-14-5-7-21-8-6-14/h1,3-4,12,14-15,21H,2,5-11H2.
What are the key properties of 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine?
4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine has a molecular weight of 337.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,3,3-tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine is sourced from PubChem (CID 162577750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).