1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone

C14H20N2O2 — CID 63909410

IUPAC1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
SMILESCC1CNCC(C)N1C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)14(18)13(17)12-6-4-3-5-7-12/h3-7,10-11,13,15,17H,8-9H2,1-2H3
InChIKeyJNQGKSMAFXACEA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.93
Rot. Bonds2

About 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone

1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone (PubChem CID 63909410) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
PubChem CID63909410
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
SMILESCC1CNCC(C)N1C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)14(18)13(17)12-6-4-3-5-7-12/h3-7,10-11,13,15,17H,8-9H2,1-2H3
InChIKeyJNQGKSMAFXACEA-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 63909611
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-hydroxy-2-phenylethanone
CID 66208719
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
CID 61234954
1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721911
(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79217052
(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 146530020
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
CID 63911769
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-phenylbutan-1-one
CID 43595543

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone (CID 63909410) is 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone is CC1CNCC(C)N1C(=O)C(O)c1ccccc1.
What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is JNQGKSMAFXACEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-15-9-11(2)16(10)14(18)13(17)12-6-4-3-5-7-12/h3-7,10-11,13,15,17H,8-9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone?
1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 248.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 63909410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).