1-(2,3-difluorophenyl)-4-ethylpiperidine

C13H17F2N — CID 155298255

IUPAC1-(2,3-difluorophenyl)-4-ethylpiperidine
SMILESCCC1CCN(c2cccc(F)c2F)CC1
InChIInChI=1S/C13H17F2N/c1-2-10-6-8-16(9-7-10)12-5-3-4-11(14)13(12)15/h3-5,10H,2,6-9H2,1H3
InChIKeyCJGHZVMBMPYMAM-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.59
Rot. Bonds2

About 1-(2,3-difluorophenyl)-4-ethylpiperidine

1-(2,3-difluorophenyl)-4-ethylpiperidine (PubChem CID 155298255) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-ethylpiperidine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-ethylpiperidine
PubChem CID155298255
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,3-difluorophenyl)-4-ethylpiperidine
SMILESCCC1CCN(c2cccc(F)c2F)CC1
InChIInChI=1S/C13H17F2N/c1-2-10-6-8-16(9-7-10)12-5-3-4-11(14)13(12)15/h3-5,10H,2,6-9H2,1H3
InChIKeyCJGHZVMBMPYMAM-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
1-(2,3-difluorophenyl)-4-methyl-1,5-diazocane
CID 55149225
2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015
2-(4-ethylpiperidin-1-yl)-6-methylsulfanylbenzonitrile
CID 113385525
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-(2,3-difluorophenyl)-2,5-dihydropyrrole
CID 69194042
2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile
CID 104716432
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-ethylpiperidine?
The IUPAC name of 1-(2,3-difluorophenyl)-4-ethylpiperidine (CID 155298255) is 1-(2,3-difluorophenyl)-4-ethylpiperidine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-ethylpiperidine?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-ethylpiperidine is CCC1CCN(c2cccc(F)c2F)CC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-ethylpiperidine?
The InChIKey is CJGHZVMBMPYMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-10-6-8-16(9-7-10)12-5-3-4-11(14)13(12)15/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-4-ethylpiperidine?
1-(2,3-difluorophenyl)-4-ethylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-4-ethylpiperidine is sourced from PubChem (CID 155298255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).