(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone

C13H18N2O2 — CID 82266519

IUPAC(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
SMILESCc1cc(O)cc(C)c1C(=O)N1CCNCC1
InChIInChI=1S/C13H18N2O2/c1-9-7-11(16)8-10(2)12(9)13(17)15-5-3-14-4-6-15/h7-8,14,16H,3-6H2,1-2H3
InChIKeyRQUIYYYJJRVSNC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.05
Rot. Bonds1

About (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone

(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone (PubChem CID 82266519) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
PubChem CID82266519
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
SMILESCc1cc(O)cc(C)c1C(=O)N1CCNCC1
InChIInChI=1S/C13H18N2O2/c1-9-7-11(16)8-10(2)12(9)13(17)15-5-3-14-4-6-15/h7-8,14,16H,3-6H2,1-2H3
InChIKeyRQUIYYYJJRVSNC-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
CID 171905666
(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 110833669
(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82511555
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266893
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400963
1-(2-methoxyethyl)-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
CID 82525678
(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
CID 22104766
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone (CID 82266519) is (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone is Cc1cc(O)cc(C)c1C(=O)N1CCNCC1.
What is the InChIKey of (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone?
The InChIKey is RQUIYYYJJRVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-11(16)8-10(2)12(9)13(17)15-5-3-14-4-6-15/h7-8,14,16H,3-6H2,1-2H3.
What are the key properties of (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone?
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82266519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).