2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone

C14H20N2O2 — CID 63608714

IUPAC2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(O)cc2)CCN1C
InChIInChI=1S/C14H20N2O2/c1-11-9-16(8-7-15(11)2)10-14(18)12-3-5-13(17)6-4-12/h3-6,11,17H,7-10H2,1-2H3
InChIKeyMOGLGCKIFRPBIV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds3

About 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone

2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone (PubChem CID 63608714) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
PubChem CID63608714
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(O)cc2)CCN1C
InChIInChI=1S/C14H20N2O2/c1-11-9-16(8-7-15(11)2)10-14(18)12-3-5-13(17)6-4-12/h3-6,11,17H,7-10H2,1-2H3
InChIKeyMOGLGCKIFRPBIV-UHFFFAOYSA-N
XLogP1.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone (CID 63608714) is 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone is CC1CN(CC(=O)c2ccc(O)cc2)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone?
The InChIKey is MOGLGCKIFRPBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-9-16(8-7-15(11)2)10-14(18)12-3-5-13(17)6-4-12/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone?
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 63608714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).