1-[(2S)-2-hydroxypropyl]piperazin-2-one

C7H14N2O2 — CID 96979456

IUPAC1-[(2S)-2-hydroxypropyl]piperazin-2-one
SMILESC[C@H](O)CN1CCNCC1=O
InChIInChI=1S/C7H14N2O2/c1-6(10)5-9-3-2-8-4-7(9)11/h6,8,10H,2-5H2,1H3/t6-/m0/s1
InChIKeyGRBOCCOXAHFRFW-LURJTMIESA-N
MW158.20 g/mol
LogP-1.20
Rot. Bonds2

About 1-[(2S)-2-hydroxypropyl]piperazin-2-one

1-[(2S)-2-hydroxypropyl]piperazin-2-one (PubChem CID 96979456) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]piperazin-2-one
PubChem CID96979456
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-[(2S)-2-hydroxypropyl]piperazin-2-one
SMILESC[C@H](O)CN1CCNCC1=O
InChIInChI=1S/C7H14N2O2/c1-6(10)5-9-3-2-8-4-7(9)11/h6,8,10H,2-5H2,1H3/t6-/m0/s1
InChIKeyGRBOCCOXAHFRFW-LURJTMIESA-N
XLogP-1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

1-(2-methylbutyl)piperazin-2-one;hydrobromide
CID 141488890
1-(2-hydroxy-3-methylbutyl)-1,4-diazepan-2-one
CID 130495524
2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62311797
N-methyl-2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62310011
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
[1-chloro-3-(2-oxopiperazin-1-yl)propan-2-yl] 2,2-dimethylpropanoate
CID 174567214
methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
CID 54759045
N,N-diethyl-2-(2-oxopiperazin-1-yl)acetamide
CID 62311999
1-hexylpiperazin-2-one
CID 62311409
1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 66660500
tert-butyl 2-(2-oxopiperazin-1-yl)acetate
CID 10584737
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]piperazin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]piperazin-2-one (CID 96979456) is 1-[(2S)-2-hydroxypropyl]piperazin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]piperazin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]piperazin-2-one is C[C@H](O)CN1CCNCC1=O.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]piperazin-2-one?
The InChIKey is GRBOCCOXAHFRFW-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)5-9-3-2-8-4-7(9)11/h6,8,10H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]piperazin-2-one?
1-[(2S)-2-hydroxypropyl]piperazin-2-one has a molecular weight of 158.20 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]piperazin-2-one is sourced from PubChem (CID 96979456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).