6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one

C13H18N2O2 — CID 117026726

IUPAC6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
SMILESCC(c1ccccc1)N1CC(=O)NC(CO)C1
InChIInChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-7-12(9-16)14-13(17)8-15/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)
InChIKeyIMTYKGUNNNQPSO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.54
Rot. Bonds3

About 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one

6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one (PubChem CID 117026726) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
PubChem CID117026726
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
SMILESCC(c1ccccc1)N1CC(=O)NC(CO)C1
InChIInChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-7-12(9-16)14-13(17)8-15/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)
InChIKeyIMTYKGUNNNQPSO-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026747
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
[1-(1-phenylethyl)imidazolidin-4-yl]methanamine
CID 71161876
4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026759
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
5-benzhydryl-1,2,5-triazepane-3,7-dione
CID 22769787
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one?
The IUPAC name of 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one (CID 117026726) is 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one?
The canonical SMILES for 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one is CC(c1ccccc1)N1CC(=O)NC(CO)C1.
What is the InChIKey of 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one?
The InChIKey is IMTYKGUNNNQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-7-12(9-16)14-13(17)8-15/h2-6,10,12,16H,7-9H2,1H3,(H,14,17).
What are the key properties of 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one?
6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one is sourced from PubChem (CID 117026726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).