ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine

C15H23F3N2 — CID 176552649

IUPACethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine
SMILESCC.CCC1CCN(c2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2.C2H6/c1-2-10-5-8-18(9-6-10)11-4-3-7-17-12(11)13(14,15)16;1-2/h3-4,7,10H,2,5-6,8-9H2,1H3;1-2H3
InChIKeyIXEZECMHENFKAB-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.75
Rot. Bonds2

About ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine

ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 176552649) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID176552649
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nameethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine
SMILESCC.CCC1CCN(c2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2.C2H6/c1-2-10-5-8-18(9-6-10)11-4-3-7-17-12(11)13(14,15)16;1-2/h3-4,7,10H,2,5-6,8-9H2,1H3;1-2H3
InChIKeyIXEZECMHENFKAB-UHFFFAOYSA-N
XLogP4.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3R)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039268
1-[[(3S)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039204
[2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
CID 61421741
2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 61421048
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
4-chloro-3-(4-ethylpiperidin-1-yl)pyridine
CID 176552939
1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 171690442
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine
CID 175865963

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine (CID 176552649) is ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine is CC.CCC1CCN(c2cccnc2C(F)(F)F)CC1.
What is the InChIKey of ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is IXEZECMHENFKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2.C2H6/c1-2-10-5-8-18(9-6-10)11-4-3-7-17-12(11)13(14,15)16;1-2/h3-4,7,10H,2,5-6,8-9H2,1H3;1-2H3.
What are the key properties of ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine?
ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 288.36 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethylpiperidin-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 176552649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).