(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone

C15H20F2N2O — CID 114506517

IUPAC(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2c(F)cccc2F)CCC1NC
InChIInChI=1S/C15H20F2N2O/c1-3-10-9-19(8-7-13(10)18-2)15(20)14-11(16)5-4-6-12(14)17/h4-6,10,13,18H,3,7-9H2,1-2H3
InChIKeyRUXGMWNMUUEOEY-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.42
Rot. Bonds3

About (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone

(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114506517) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114506517
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2c(F)cccc2F)CCC1NC
InChIInChI=1S/C15H20F2N2O/c1-3-10-9-19(8-7-13(10)18-2)15(20)14-11(16)5-4-6-12(14)17/h4-6,10,13,18H,3,7-9H2,1-2H3
InChIKeyRUXGMWNMUUEOEY-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 114506383
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 114506764
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 114506554
N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 107652895
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
[3-ethyl-4-(methylamino)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103115705

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone (CID 114506517) is (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone is CCC1CN(C(=O)c2c(F)cccc2F)CCC1NC.
What is the InChIKey of (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is RUXGMWNMUUEOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-3-10-9-19(8-7-13(10)18-2)15(20)14-11(16)5-4-6-12(14)17/h4-6,10,13,18H,3,7-9H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 282.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114506517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).