(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone

C13H17FN2O2 — CID 107015881

IUPAC(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCC1CNCC(C)N1C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-6-15-7-9(2)16(8)13(18)12-10(14)4-3-5-11(12)17/h3-5,8-9,15,17H,6-7H2,1-2H3
InChIKeyMAFYDLDKTOKPQY-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.35
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone

(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 107015881) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID107015881
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCC1CNCC(C)N1C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-6-15-7-9(2)16(8)13(18)12-10(14)4-3-5-11(12)17/h3-5,8-9,15,17H,6-7H2,1-2H3
InChIKeyMAFYDLDKTOKPQY-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(2,6-difluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595615
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 81265442
(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 63910003
(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910775
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 63911957
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 107098174

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone (CID 107015881) is (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone is CC1CNCC(C)N1C(=O)c1c(O)cccc1F.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is MAFYDLDKTOKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-6-15-7-9(2)16(8)13(18)12-10(14)4-3-5-11(12)17/h3-5,8-9,15,17H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 107015881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).