(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione

C9H16N2O3 — CID 58010631

IUPAC(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
SMILESCC(=O)C[C@@H](O)C(=O)N1CCNCC1
InChIInChI=1S/C9H16N2O3/c1-7(12)6-8(13)9(14)11-4-2-10-3-5-11/h8,10,13H,2-6H2,1H3/t8-/m1/s1
InChIKeyGMNDAWFQUCFCRV-MRVPVSSYSA-N
MW200.24 g/mol
LogP-1.24
Rot. Bonds3

About (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione

(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione (PubChem CID 58010631) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
PubChem CID58010631
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
SMILESCC(=O)C[C@@H](O)C(=O)N1CCNCC1
InChIInChI=1S/C9H16N2O3/c1-7(12)6-8(13)9(14)11-4-2-10-3-5-11/h8,10,13H,2-6H2,1H3/t8-/m1/s1
InChIKeyGMNDAWFQUCFCRV-MRVPVSSYSA-N
XLogP-1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82086871
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
ethene;1-piperazin-1-ylethanone
CID 145071339
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one
CID 82509589
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione?
The IUPAC name of (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione (CID 58010631) is (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione.
What is the SMILES notation for (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione?
The canonical SMILES for (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione is CC(=O)C[C@@H](O)C(=O)N1CCNCC1.
What is the InChIKey of (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione?
The InChIKey is GMNDAWFQUCFCRV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)6-8(13)9(14)11-4-2-10-3-5-11/h8,10,13H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione?
(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione has a molecular weight of 200.24 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione is sourced from PubChem (CID 58010631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).