2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one

C15H25N3O3 — CID 71591147

IUPAC2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCN(CCN(C)C)CC2)o1
InChIInChI=1S/C15H25N3O3/c1-12-10-13(19)15(20)14(21-12)11-18-8-6-17(7-9-18)5-4-16(2)3/h10,20H,4-9,11H2,1-3H3
InChIKeyAQMVBONWDFOYQH-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.33
Rot. Bonds5

About 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 71591147) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID71591147
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCN(CCN(C)C)CC2)o1
InChIInChI=1S/C15H25N3O3/c1-12-10-13(19)15(20)14(21-12)11-18-8-6-17(7-9-18)5-4-16(2)3/h10,20H,4-9,11H2,1-3H3
InChIKeyAQMVBONWDFOYQH-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one (CID 71591147) is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one is Cc1cc(=O)c(O)c(CN2CCN(CCN(C)C)CC2)o1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is AQMVBONWDFOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12-10-13(19)15(20)14(21-12)11-18-8-6-17(7-9-18)5-4-16(2)3/h10,20H,4-9,11H2,1-3H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 295.38 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 71591147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).