2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide

C12H26N4O3 — CID 103229714

IUPAC2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H26N4O3/c1-12(2,18)9-15-4-6-16(7-5-15)10(8-19-3)11(17)14-13/h10,18H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyJWSIVHVYGLMKDF-UHFFFAOYSA-N
MW274.37 g/mol
LogP-1.62
Rot. Bonds6

About 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide

2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide (PubChem CID 103229714) has the molecular formula C12H26N4O3 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
PubChem CID103229714
Molecular FormulaC12H26N4O3
Molecular Weight274.37 g/mol
Exact Mass274.20
IUPAC Name2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H26N4O3/c1-12(2,18)9-15-4-6-16(7-5-15)10(8-19-3)11(17)14-13/h10,18H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyJWSIVHVYGLMKDF-UHFFFAOYSA-N
XLogP-1.62
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 103229575
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
CID 103229457
tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
CID 64688531
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
CID 103229712
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide
CID 103229454
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide?
The IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide (CID 103229714) is 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide is COCC(C(=O)NN)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide?
The InChIKey is JWSIVHVYGLMKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3/c1-12(2,18)9-15-4-6-16(7-5-15)10(8-19-3)11(17)14-13/h10,18H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide?
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide has a molecular weight of 274.37 g/mol, XLogP of -1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide is sourced from PubChem (CID 103229714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).