(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H20N2O3 — CID 104873383

IUPAC(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(O)cc2O)CC(C)N1C
InChIInChI=1S/C14H20N2O3/c1-9-7-16(8-10(2)15(9)3)14(19)12-5-4-11(17)6-13(12)18/h4-6,9-10,17-18H,7-8H2,1-3H3
InChIKeyORQJMCTZMGWJNY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds1

About (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 104873383) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID104873383
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(O)cc2O)CC(C)N1C
InChIInChI=1S/C14H20N2O3/c1-9-7-16(8-10(2)15(9)3)14(19)12-5-4-11(17)6-13(12)18/h4-6,9-10,17-18H,7-8H2,1-3H3
InChIKeyORQJMCTZMGWJNY-UHFFFAOYSA-N
XLogP1.26
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873399
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 103750365
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103873477
(2,4-dihydroxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 57440489
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 107036373
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
(2,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103892619
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 86785879

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 104873383) is (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(O)cc2O)CC(C)N1C.
What is the InChIKey of (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is ORQJMCTZMGWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-16(8-10(2)15(9)3)14(19)12-5-4-11(17)6-13(12)18/h4-6,9-10,17-18H,7-8H2,1-3H3.
What are the key properties of (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 104873383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).