4-(2,5-difluorophenyl)-3-ethylpiperidine

C13H17F2N — CID 79320741

IUPAC4-(2,5-difluorophenyl)-3-ethylpiperidine
SMILESCCC1CNCCC1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-2-9-8-16-6-5-11(9)12-7-10(14)3-4-13(12)15/h3-4,7,9,11,16H,2,5-6,8H2,1H3
InChIKeyKHOZCAXLTYEQIJ-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.07
Rot. Bonds2

About 4-(2,5-difluorophenyl)-3-ethylpiperidine

4-(2,5-difluorophenyl)-3-ethylpiperidine (PubChem CID 79320741) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3-ethylpiperidine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3-ethylpiperidine
PubChem CID79320741
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-(2,5-difluorophenyl)-3-ethylpiperidine
SMILESCCC1CNCCC1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-2-9-8-16-6-5-11(9)12-7-10(14)3-4-13(12)15/h3-4,7,9,11,16H,2,5-6,8H2,1H3
InChIKeyKHOZCAXLTYEQIJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-ethylpiperidin-4-yl)-6-fluoro-1H-indole
CID 114509796
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
CID 114055081
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-(3,5-dichlorophenyl)-3-ethylpiperidine
CID 79310849
3-ethyl-4-(2-ethylphenyl)piperidine
CID 79310603
4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
CID 79320257
3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107290040
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
CID 114867305
3-ethyl-4-phenylpiperidine
CID 56828112
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole
CID 114509798

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3-ethylpiperidine?
The IUPAC name of 4-(2,5-difluorophenyl)-3-ethylpiperidine (CID 79320741) is 4-(2,5-difluorophenyl)-3-ethylpiperidine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3-ethylpiperidine?
The canonical SMILES for 4-(2,5-difluorophenyl)-3-ethylpiperidine is CCC1CNCCC1c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-3-ethylpiperidine?
The InChIKey is KHOZCAXLTYEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-9-8-16-6-5-11(9)12-7-10(14)3-4-13(12)15/h3-4,7,9,11,16H,2,5-6,8H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-3-ethylpiperidine?
4-(2,5-difluorophenyl)-3-ethylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-3-ethylpiperidine is sourced from PubChem (CID 79320741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).