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

C13H18N2O2 — CID 63911393

IUPAC(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O2/c1-9-7-14-8-10(2)15(9)13(17)11-5-3-4-6-12(11)16/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyBEMFOFMXXRAZEK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds1

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

(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 63911393) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID63911393
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O2/c1-9-7-14-8-10(2)15(9)13(17)11-5-3-4-6-12(11)16/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyBEMFOFMXXRAZEK-UHFFFAOYSA-N
XLogP1.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone (CID 63911393) is (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone is CC1CNCC(C)N1C(=O)c1ccccc1O.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is BEMFOFMXXRAZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-14-8-10(2)15(9)13(17)11-5-3-4-6-12(11)16/h3-6,9-10,14,16H,7-8H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.21, 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-hydroxyphenyl)methanone is sourced from PubChem (CID 63911393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).