1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one

C10H20N2O2 — CID 148838219

IUPAC1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(C)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)10(14)12-6-4-11(5-7-12)9(3)13/h8-9,13H,4-7H2,1-3H3
InChIKeyOVABLJONKFIGSL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds2

About 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 148838219) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID148838219
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(C)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)10(14)12-6-4-11(5-7-12)9(3)13/h8-9,13H,4-7H2,1-3H3
InChIKeyOVABLJONKFIGSL-UHFFFAOYSA-N
XLogP0.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 170409016
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one
CID 166562120
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 134435805
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
CID 70468827
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one (CID 148838219) is 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(C(C)O)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is OVABLJONKFIGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)10(14)12-6-4-11(5-7-12)9(3)13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 148838219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).