6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one

C8H16N2O3 — CID 68639671

IUPAC6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one
SMILESO=C1CN(CCCO)CC(CO)N1
InChIInChI=1S/C8H16N2O3/c11-3-1-2-10-4-7(6-12)9-8(13)5-10/h7,11-12H,1-6H2,(H,9,13)
InChIKeyMGYLIIMFSWPDHG-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.84
Rot. Bonds4

About 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one

6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one (PubChem CID 68639671) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one
PubChem CID68639671
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one
SMILESO=C1CN(CCCO)CC(CO)N1
InChIInChI=1S/C8H16N2O3/c11-3-1-2-10-4-7(6-12)9-8(13)5-10/h7,11-12H,1-6H2,(H,9,13)
InChIKeyMGYLIIMFSWPDHG-UHFFFAOYSA-N
XLogP-1.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one?
The IUPAC name of 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one (CID 68639671) is 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one?
The canonical SMILES for 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one is O=C1CN(CCCO)CC(CO)N1.
What is the InChIKey of 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one?
The InChIKey is MGYLIIMFSWPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c11-3-1-2-10-4-7(6-12)9-8(13)5-10/h7,11-12H,1-6H2,(H,9,13).
What are the key properties of 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one?
6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one has a molecular weight of 188.23 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one is sourced from PubChem (CID 68639671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).