(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone

C13H18N2O2 — CID 64979494

IUPAC(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2cccc(O)c2)C(C)CN1
InChIInChI=1S/C13H18N2O2/c1-9-8-15(10(2)7-14-9)13(17)11-4-3-5-12(16)6-11/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyGNDRWKVFUJDTFU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds1

About (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone

(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone (PubChem CID 64979494) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
PubChem CID64979494
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2cccc(O)c2)C(C)CN1
InChIInChI=1S/C13H18N2O2/c1-9-8-15(10(2)7-14-9)13(17)11-4-3-5-12(16)6-11/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyGNDRWKVFUJDTFU-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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Related Compounds

(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 64979486
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
1,3-benzodioxol-5-yl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980042
(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
CID 82245986
1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
CID 141120566
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
CID 64979365
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
(2,5-dimethylpiperazin-1-yl)-(5-nitrothiophen-3-yl)methanone
CID 64979919
(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 64979980
(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979323

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone (CID 64979494) is (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone is CC1CN(C(=O)c2cccc(O)c2)C(C)CN1.
What is the InChIKey of (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is GNDRWKVFUJDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-15(10(2)7-14-9)13(17)11-4-3-5-12(16)6-11/h3-6,9-10,14,16H,7-8H2,1-2H3.
What are the key properties of (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
(2,5-dimethylpiperazin-1-yl)-(3-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 (2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 64979494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).