(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone

C14H19FN2O2 — CID 104918307

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2c(O)cccc2F)CC1C
InChIInChI=1S/C14H19FN2O2/c1-3-16-7-8-17(9-10(16)2)14(19)13-11(15)5-4-6-12(13)18/h4-6,10,18H,3,7-9H2,1-2H3
InChIKeyMAWJWBZWNVDJNZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds2

About (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone

(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 104918307) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID104918307
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2c(O)cccc2F)CC1C
InChIInChI=1S/C14H19FN2O2/c1-3-16-7-8-17(9-10(16)2)14(19)13-11(15)5-4-6-12(13)18/h4-6,10,18H,3,7-9H2,1-2H3
InChIKeyMAWJWBZWNVDJNZ-UHFFFAOYSA-N
XLogP1.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(2-fluoro-6-hydroxyphenyl)-[(3R)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
CID 124680191
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
(2-bromo-5-fluorophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55216223
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 104917539
(4-ethyl-3-methylpiperazin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103846837
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916531
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone (CID 104918307) is (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone is CCN1CCN(C(=O)c2c(O)cccc2F)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is MAWJWBZWNVDJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-16-7-8-17(9-10(16)2)14(19)13-11(15)5-4-6-12(13)18/h4-6,10,18H,3,7-9H2,1-2H3.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 104918307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).