[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

C17H25FN2O — CID 63162009

IUPAC[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H25FN2O/c1-4-17(3)9-11-20(12-10-17)16(21)13-7-6-8-14(18)15(13)19-5-2/h6-8,19H,4-5,9-12H2,1-3H3
InChIKeyXHYUWSKRMYBFFJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.91
Rot. Bonds4

About [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63162009) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63162009
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H25FN2O/c1-4-17(3)9-11-20(12-10-17)16(21)13-7-6-8-14(18)15(13)19-5-2/h6-8,19H,4-5,9-12H2,1-3H3
InChIKeyXHYUWSKRMYBFFJ-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[2-(ethylamino)-3-fluorophenyl]-(1,4-thiazepan-4-yl)methanone
CID 62660209
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979240
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
[2-(ethylamino)-3-fluorophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62648743
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63162009) is [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCNc1c(F)cccc1C(=O)N1CCC(C)(CC)CC1.
What is the InChIKey of [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is XHYUWSKRMYBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-17(3)9-11-20(12-10-17)16(21)13-7-6-8-14(18)15(13)19-5-2/h6-8,19H,4-5,9-12H2,1-3H3.
What are the key properties of [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 292.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63162009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).