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

C10H20N2O3 — CID 170409016

IUPAC1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(O)CO)CC1
InChIInChI=1S/C10H20N2O3/c1-8(2)10(15)12-5-3-11(4-6-12)9(14)7-13/h8-9,13-14H,3-7H2,1-2H3
InChIKeyMSOZNEROTJELRW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.90
Rot. Bonds3

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

1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 170409016) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID170409016
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(O)CO)CC1
InChIInChI=1S/C10H20N2O3/c1-8(2)10(15)12-5-3-11(4-6-12)9(14)7-13/h8-9,13-14H,3-7H2,1-2H3
InChIKeyMSOZNEROTJELRW-UHFFFAOYSA-N
XLogP-0.90
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
(1S)-1-pyrrolidin-1-ylethane-1,2-diol
CID 143982374
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
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one (CID 170409016) is 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(C(O)CO)CC1.
What is the InChIKey of 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is MSOZNEROTJELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)10(15)12-5-3-11(4-6-12)9(14)7-13/h8-9,13-14H,3-7H2,1-2H3.
What are the key properties of 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 170409016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).