(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

C13H17FN2O2 — CID 107677145

IUPAC(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(O)cc1F
InChIInChI=1S/C13H17FN2O2/c1-13(2)8-15-5-6-16(13)12(18)10-4-3-9(17)7-11(10)14/h3-4,7,15,17H,5-6,8H2,1-2H3
InChIKeyBBKKOUSDAUGFAW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.36
Rot. Bonds1

About (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 107677145) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID107677145
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(O)cc1F
InChIInChI=1S/C13H17FN2O2/c1-13(2)8-15-5-6-16(13)12(18)10-4-3-9(17)7-11(10)14/h3-4,7,15,17H,5-6,8H2,1-2H3
InChIKeyBBKKOUSDAUGFAW-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (CID 107677145) is (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is CC1(C)CNCCN1C(=O)c1ccc(O)cc1F.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is BBKKOUSDAUGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2)8-15-5-6-16(13)12(18)10-4-3-9(17)7-11(10)14/h3-4,7,15,17H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 107677145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).