1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C17H25FN2O — CID 114506772

IUPAC1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCNC1CCN(C(=O)Cc2ccc(F)cc2)CC1CC
InChIInChI=1S/C17H25FN2O/c1-3-14-12-20(10-9-16(14)19-4-2)17(21)11-13-5-7-15(18)8-6-13/h5-8,14,16,19H,3-4,9-12H2,1-2H3
InChIKeyDIXCNBQDTTWJGD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 114506772) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID114506772
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCNC1CCN(C(=O)Cc2ccc(F)cc2)CC1CC
InChIInChI=1S/C17H25FN2O/c1-3-14-12-20(10-9-16(14)19-4-2)17(21)11-13-5-7-15(18)8-6-13/h5-8,14,16,19H,3-4,9-12H2,1-2H3
InChIKeyDIXCNBQDTTWJGD-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 114506764
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 114506383
1-[(3S,4S)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 97097376
2-cyclohexyl-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethanone
CID 114506671
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 114506772) is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is CCNC1CCN(C(=O)Cc2ccc(F)cc2)CC1CC.
What is the InChIKey of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is DIXCNBQDTTWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-14-12-20(10-9-16(14)19-4-2)17(21)11-13-5-7-15(18)8-6-13/h5-8,14,16,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 292.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 114506772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).