1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione

C12H21N3O3 — CID 81115688

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESCC1(O)CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H21N3O3/c1-12(18)2-6-14(7-3-12)10(16)11(17)15-8-4-13-5-9-15/h13,18H,2-9H2,1H3
InChIKeyFPJDMMBJKDOTMT-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.21
Rot. Bonds

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione (PubChem CID 81115688) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
PubChem CID81115688
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESCC1(O)CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H21N3O3/c1-12(18)2-6-14(7-3-12)10(16)11(17)15-8-4-13-5-9-15/h13,18H,2-9H2,1H3
InChIKeyFPJDMMBJKDOTMT-UHFFFAOYSA-N
XLogP-1.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione with MolForge

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Related Compounds

1-(4-hydroxy-4-methylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 107405797
1-(4,4-dimethylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 65281989
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
CID 81115561
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 80707062
1-(5-oxo-1,4-diazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 63002706
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 103356003

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione (CID 81115688) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione is CC1(O)CCN(C(=O)C(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The InChIKey is FPJDMMBJKDOTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(18)2-6-14(7-3-12)10(16)11(17)15-8-4-13-5-9-15/h13,18H,2-9H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 255.32 g/mol, XLogP of -1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 81115688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).