2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone

C19H30N4O2 — CID 74230901

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCN1CCN(C)C(CC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1
InChIInChI=1S/C19H30N4O2/c1-20-6-7-21(2)17(15-20)13-19(25)23-10-8-22(9-11-23)14-16-4-3-5-18(24)12-16/h3-5,12,17,24H,6-11,13-15H2,1-2H3
InChIKeyAJAZHZGXLZCRGU-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.67
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone

2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 74230901) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID74230901
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCN1CCN(C)C(CC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1
InChIInChI=1S/C19H30N4O2/c1-20-6-7-21(2)17(15-20)13-19(25)23-10-8-22(9-11-23)14-16-4-3-5-18(24)12-16/h3-5,12,17,24H,6-11,13-15H2,1-2H3
InChIKeyAJAZHZGXLZCRGU-UHFFFAOYSA-N
XLogP0.67
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119873868
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 75396630
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
4-[(3-hydroxyphenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 100570111
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone (CID 74230901) is 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone is CN1CCN(C)C(CC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is AJAZHZGXLZCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-20-6-7-21(2)17(15-20)13-19(25)23-10-8-22(9-11-23)14-16-4-3-5-18(24)12-16/h3-5,12,17,24H,6-11,13-15H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone?
2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 74230901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).