3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine

C15H22FNO — CID 165495437

IUPAC3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine
SMILESCCOc1cccc(C2CCCN(CC)C2)c1F
InChIInChI=1S/C15H22FNO/c1-3-17-10-6-7-12(11-17)13-8-5-9-14(15(13)16)18-4-2/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3
InChIKeyZSJMVOHTLJVPQX-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.42
Rot. Bonds4

About 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine

3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine (PubChem CID 165495437) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine.

Molecular Properties

Compound Name3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine
PubChem CID165495437
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine
SMILESCCOc1cccc(C2CCCN(CC)C2)c1F
InChIInChI=1S/C15H22FNO/c1-3-17-10-6-7-12(11-17)13-8-5-9-14(15(13)16)18-4-2/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3
InChIKeyZSJMVOHTLJVPQX-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-ethylpiperidin-4-yl)-2-fluorophenyl] trifluoromethanesulfonate
CID 57447968
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
CID 11702233
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine
CID 87651989
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine
CID 57448053
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
N-[[3-(2,3-difluorophenyl)azepan-1-yl]methyl]-N-methylpropan-1-amine
CID 143222299
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
methyl 3-[(3S)-1-ethylpiperidin-3-yl]benzoate
CID 22856993

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine?
The IUPAC name of 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine (CID 165495437) is 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine.
What is the SMILES notation for 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine?
The canonical SMILES for 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine is CCOc1cccc(C2CCCN(CC)C2)c1F.
What is the InChIKey of 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine?
The InChIKey is ZSJMVOHTLJVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-10-6-7-12(11-17)13-8-5-9-14(15(13)16)18-4-2/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine?
3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine has a molecular weight of 251.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-fluorophenyl)-1-ethylpiperidine is sourced from PubChem (CID 165495437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).