[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

C15H22FN3O2 — CID 104916616

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCN(C)CCN1CCN(C(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-17(2)6-7-18-8-10-19(11-9-18)15(21)14-12(16)4-3-5-13(14)20/h3-5,20H,6-11H2,1-2H3
InChIKeyKCAUAIXHSBFKFN-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.85
Rot. Bonds4

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 104916616) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID104916616
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCN(C)CCN1CCN(C(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-17(2)6-7-18-8-10-19(11-9-18)15(21)14-12(16)4-3-5-13(14)20/h3-5,20H,6-11H2,1-2H3
InChIKeyKCAUAIXHSBFKFN-UHFFFAOYSA-N
XLogP0.85
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (CID 104916616) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is CN(C)CCN1CCN(C(=O)c2c(O)cccc2F)CC1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is KCAUAIXHSBFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-17(2)6-7-18-8-10-19(11-9-18)15(21)14-12(16)4-3-5-13(14)20/h3-5,20H,6-11H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 295.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 104916616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).