1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one

C13H18N2O2 — CID 117340740

IUPAC1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
SMILESCC(O)Cc1cccc(N2CCNCC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-10(16)7-11-3-2-4-12(8-11)15-6-5-14-9-13(15)17/h2-4,8,10,14,16H,5-7,9H2,1H3
InChIKeyPPJMZGWVHXUFBF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.55
Rot. Bonds3

About 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one

1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one (PubChem CID 117340740) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
PubChem CID117340740
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
SMILESCC(O)Cc1cccc(N2CCNCC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-10(16)7-11-3-2-4-12(8-11)15-6-5-14-9-13(15)17/h2-4,8,10,14,16H,5-7,9H2,1H3
InChIKeyPPJMZGWVHXUFBF-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one?
The IUPAC name of 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one (CID 117340740) is 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one?
The canonical SMILES for 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one is CC(O)Cc1cccc(N2CCNCC2=O)c1.
What is the InChIKey of 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one?
The InChIKey is PPJMZGWVHXUFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)7-11-3-2-4-12(8-11)15-6-5-14-9-13(15)17/h2-4,8,10,14,16H,5-7,9H2,1H3.
What are the key properties of 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one?
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one is sourced from PubChem (CID 117340740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).