1,4-bis(2-hydroxypropyl)piperazin-2-one

C10H20N2O3 — CID 21270394

IUPAC1,4-bis(2-hydroxypropyl)piperazin-2-one
SMILESCC(O)CN1CCN(CC(C)O)C(=O)C1
InChIInChI=1S/C10H20N2O3/c1-8(13)5-11-3-4-12(6-9(2)14)10(15)7-11/h8-9,13-14H,3-7H2,1-2H3
InChIKeyFCVHZXSDDFALCA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.11
Rot. Bonds4

About 1,4-bis(2-hydroxypropyl)piperazin-2-one

1,4-bis(2-hydroxypropyl)piperazin-2-one (PubChem CID 21270394) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,4-bis(2-hydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name1,4-bis(2-hydroxypropyl)piperazin-2-one
PubChem CID21270394
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1,4-bis(2-hydroxypropyl)piperazin-2-one
SMILESCC(O)CN1CCN(CC(C)O)C(=O)C1
InChIInChI=1S/C10H20N2O3/c1-8(13)5-11-3-4-12(6-9(2)14)10(15)7-11/h8-9,13-14H,3-7H2,1-2H3
InChIKeyFCVHZXSDDFALCA-UHFFFAOYSA-N
XLogP-1.11
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-hydroxypropyl)piperazin-2-one?
The IUPAC name of 1,4-bis(2-hydroxypropyl)piperazin-2-one (CID 21270394) is 1,4-bis(2-hydroxypropyl)piperazin-2-one.
What is the SMILES notation for 1,4-bis(2-hydroxypropyl)piperazin-2-one?
The canonical SMILES for 1,4-bis(2-hydroxypropyl)piperazin-2-one is CC(O)CN1CCN(CC(C)O)C(=O)C1.
What is the InChIKey of 1,4-bis(2-hydroxypropyl)piperazin-2-one?
The InChIKey is FCVHZXSDDFALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(13)5-11-3-4-12(6-9(2)14)10(15)7-11/h8-9,13-14H,3-7H2,1-2H3.
What are the key properties of 1,4-bis(2-hydroxypropyl)piperazin-2-one?
1,4-bis(2-hydroxypropyl)piperazin-2-one has a molecular weight of 216.28 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-hydroxypropyl)piperazin-2-one is sourced from PubChem (CID 21270394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).