(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C14H19FN2O2 — CID 115299105

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2cc(F)ccc2O)CC1C
InChIInChI=1S/C14H19FN2O2/c1-3-16-6-7-17(9-10(16)2)14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyNLXWTYMEZFMHAZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds2

About (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299105) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299105
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2cc(F)ccc2O)CC1C
InChIInChI=1S/C14H19FN2O2/c1-3-16-6-7-17(9-10(16)2)14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyNLXWTYMEZFMHAZ-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

(2-bromo-5-fluorophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55216223
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79726610
[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299657

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299105) is (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is CCN1CCN(C(=O)c2cc(F)ccc2O)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is NLXWTYMEZFMHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-16-6-7-17(9-10(16)2)14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,18H,3,6-7,9H2,1-2H3.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-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)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).