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

C13H18N2O3 — CID 107702962

IUPAC(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(O)cc(O)c2)C(C)CN1
InChIInChI=1S/C13H18N2O3/c1-8-7-15(9(2)6-14-8)13(18)10-3-11(16)5-12(17)4-10/h3-5,8-9,14,16-17H,6-7H2,1-2H3
InChIKeyFDDYWQIGXGYNDW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds1

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

(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 107702962) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID107702962
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(O)cc(O)c2)C(C)CN1
InChIInChI=1S/C13H18N2O3/c1-8-7-15(9(2)6-14-8)13(18)10-3-11(16)5-12(17)4-10/h3-5,8-9,14,16-17H,6-7H2,1-2H3
InChIKeyFDDYWQIGXGYNDW-UHFFFAOYSA-N
XLogP0.92
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone (CID 107702962) is (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(O)cc(O)c2)C(C)CN1.
What is the InChIKey of (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is FDDYWQIGXGYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-7-15(9(2)6-14-8)13(18)10-3-11(16)5-12(17)4-10/h3-5,8-9,14,16-17H,6-7H2,1-2H3.
What are the key properties of (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107702962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).