(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone

C14H20N2O3 — CID 63909800

IUPAC(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C14H20N2O3/c1-9-7-15-8-10(2)16(9)14(18)12-6-11(19-3)4-5-13(12)17/h4-6,9-10,15,17H,7-8H2,1-3H3
InChIKeyLZMBFLNTFCIJKS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.22
Rot. Bonds2

About (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone

(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 63909800) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID63909800
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C14H20N2O3/c1-9-7-15-8-10(2)16(9)14(18)12-6-11(19-3)4-5-13(12)17/h4-6,9-10,15,17H,7-8H2,1-3H3
InChIKeyLZMBFLNTFCIJKS-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910775
(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755155
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910582
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-5-methoxybenzamide
CID 115279910
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69141668

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone (CID 63909800) is (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)N2C(C)CNCC2C)c1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is LZMBFLNTFCIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-15-8-10(2)16(9)14(18)12-6-11(19-3)4-5-13(12)17/h4-6,9-10,15,17H,7-8H2,1-3H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 63909800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).