2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone

C14H19FN2O2 — CID 119559642

IUPAC2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-16-12-6-8-17(9-7-12)14(18)10-19-13-4-2-11(15)3-5-13/h2-5,12,16H,6-10H2,1H3
InChIKeyMMZVMTKFNSBZGG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.41
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 119559642) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
PubChem CID119559642
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-16-12-6-8-17(9-7-12)14(18)10-19-13-4-2-11(15)3-5-13/h2-5,12,16H,6-10H2,1H3
InChIKeyMMZVMTKFNSBZGG-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538325
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
4-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921344
2-[4-(1,3-dithian-2-yl)phenoxy]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560442
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone (CID 119559642) is 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone is CNC1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is MMZVMTKFNSBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16-12-6-8-17(9-7-12)14(18)10-19-13-4-2-11(15)3-5-13/h2-5,12,16H,6-10H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 266.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119559642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).