4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one

C11H13ClN2O2 — CID 117026759

IUPAC4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2Cl)CC(CO)N1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)14-5-8(7-15)13-11(16)6-14/h1-4,8,15H,5-7H2,(H,13,16)
InChIKeyNOSXLOLPBSYXKM-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.64
Rot. Bonds2

About 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one

4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one (PubChem CID 117026759) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one
PubChem CID117026759
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one
SMILESO=C1CN(c2ccccc2Cl)CC(CO)N1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)14-5-8(7-15)13-11(16)6-14/h1-4,8,15H,5-7H2,(H,13,16)
InChIKeyNOSXLOLPBSYXKM-UHFFFAOYSA-N
XLogP0.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026747
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
3-(2-chlorophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009998
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
CID 117026726
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129377317
(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
CID 92951788
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 4786854

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one (CID 117026759) is 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one is O=C1CN(c2ccccc2Cl)CC(CO)N1.
What is the InChIKey of 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one?
The InChIKey is NOSXLOLPBSYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)14-5-8(7-15)13-11(16)6-14/h1-4,8,15H,5-7H2,(H,13,16).
What are the key properties of 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one?
4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one is sourced from PubChem (CID 117026759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).