4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one

C10H20N2O3 — CID 78782890

IUPAC4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
SMILESCC(C)OCC(O)CN1CCNC(=O)C1
InChIInChI=1S/C10H20N2O3/c1-8(2)15-7-9(13)5-12-4-3-11-10(14)6-12/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyVRPQZNUROUFGGI-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.80
Rot. Bonds5

About 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one

4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one (PubChem CID 78782890) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
PubChem CID78782890
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
SMILESCC(C)OCC(O)CN1CCNC(=O)C1
InChIInChI=1S/C10H20N2O3/c1-8(2)15-7-9(13)5-12-4-3-11-10(14)6-12/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyVRPQZNUROUFGGI-UHFFFAOYSA-N
XLogP-0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489
4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one
CID 67598675
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 43213542
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 51640549
ethyl 4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzoate
CID 18125623
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
10-(2-hydroxy-3-octoxypropyl)-1,4,7,10-tetrazacyclododecane-2,6-dione
CID 102270866
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one (CID 78782890) is 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one is CC(C)OCC(O)CN1CCNC(=O)C1.
What is the InChIKey of 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one?
The InChIKey is VRPQZNUROUFGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)15-7-9(13)5-12-4-3-11-10(14)6-12/h8-9,13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one?
4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one has a molecular weight of 216.28 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one is sourced from PubChem (CID 78782890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).