2-hydroxy-1-piperazin-1-ylpropan-1-one

C7H14N2O2 — CID 13460159

IUPAC2-hydroxy-1-piperazin-1-ylpropan-1-one
SMILESCC(O)C(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-2-8-3-5-9/h6,8,10H,2-5H2,1H3
InChIKeyJQRBBKFUEZDIRG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.20
Rot. Bonds1

About 2-hydroxy-1-piperazin-1-ylpropan-1-one

2-hydroxy-1-piperazin-1-ylpropan-1-one (PubChem CID 13460159) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxy-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-piperazin-1-ylpropan-1-one
PubChem CID13460159
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-hydroxy-1-piperazin-1-ylpropan-1-one
SMILESCC(O)C(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-2-8-3-5-9/h6,8,10H,2-5H2,1H3
InChIKeyJQRBBKFUEZDIRG-UHFFFAOYSA-N
XLogP-1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-hydroxy-1-piperazin-1-ylpropan-1-one (CID 13460159) is 2-hydroxy-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-piperazin-1-ylpropan-1-one is CC(O)C(=O)N1CCNCC1.
What is the InChIKey of 2-hydroxy-1-piperazin-1-ylpropan-1-one?
The InChIKey is JQRBBKFUEZDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-2-8-3-5-9/h6,8,10H,2-5H2,1H3.
What are the key properties of 2-hydroxy-1-piperazin-1-ylpropan-1-one?
2-hydroxy-1-piperazin-1-ylpropan-1-one has a molecular weight of 158.20 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 13460159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).