4-(3,5-difluorophenoxy)-1-ethylpiperidine

C13H17F2NO — CID 143394651

IUPAC4-(3,5-difluorophenoxy)-1-ethylpiperidine
SMILESCCN1CCC(Oc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2NO/c1-2-16-5-3-12(4-6-16)17-13-8-10(14)7-11(15)9-13/h7-9,12H,2-6H2,1H3
InChIKeyXBPUDRCRKKGDPK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.83
Rot. Bonds3

About 4-(3,5-difluorophenoxy)-1-ethylpiperidine

4-(3,5-difluorophenoxy)-1-ethylpiperidine (PubChem CID 143394651) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-1-ethylpiperidine
PubChem CID143394651
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-(3,5-difluorophenoxy)-1-ethylpiperidine
SMILESCCN1CCC(Oc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2NO/c1-2-16-5-3-12(4-6-16)17-13-8-10(14)7-11(15)9-13/h7-9,12H,2-6H2,1H3
InChIKeyXBPUDRCRKKGDPK-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenoxy)-1-ethylazetidine
CID 134521250
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
4-(4-tert-butylphenoxy)-1-ethylpiperidine
CID 118546891
5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine
CID 134515125
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
2-(3,5-difluorophenoxy)-N-(1-ethylpiperidin-4-yl)acetamide
CID 126804707
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
4-(3,5-difluorophenoxy)borinane-1-carbonitrile
CID 174109415
1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644
4-[4-[3-[(dimethylamino)methyl]-5-fluorophenoxy]piperidin-1-yl]-3-(2-methylhydrazinyl)butanenitrile
CID 155132694
4-cyclobutyloxy-1-ethylpiperidine;ethane
CID 176982865

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-1-ethylpiperidine?
The IUPAC name of 4-(3,5-difluorophenoxy)-1-ethylpiperidine (CID 143394651) is 4-(3,5-difluorophenoxy)-1-ethylpiperidine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-1-ethylpiperidine?
The canonical SMILES for 4-(3,5-difluorophenoxy)-1-ethylpiperidine is CCN1CCC(Oc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-1-ethylpiperidine?
The InChIKey is XBPUDRCRKKGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-2-16-5-3-12(4-6-16)17-13-8-10(14)7-11(15)9-13/h7-9,12H,2-6H2,1H3.
What are the key properties of 4-(3,5-difluorophenoxy)-1-ethylpiperidine?
4-(3,5-difluorophenoxy)-1-ethylpiperidine has a molecular weight of 241.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-1-ethylpiperidine is sourced from PubChem (CID 143394651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).