4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one

C14H20N2O2 — CID 78946536

IUPAC4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
SMILESC[C@@H](O)c1ccc(N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(17)11-4-6-12(7-5-11)16-9-8-15-13(18)14(16,2)3/h4-7,10,17H,8-9H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyJZPCDRGFXRUFPW-SNVBAGLBSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds2

About 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one

4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one (PubChem CID 78946536) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
PubChem CID78946536
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
SMILESC[C@@H](O)c1ccc(N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(17)11-4-6-12(7-5-11)16-9-8-15-13(18)14(16,2)3/h4-7,10,17H,8-9H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyJZPCDRGFXRUFPW-SNVBAGLBSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 83131641
3,3-dimethyl-4-(4-propanoylphenyl)piperazin-2-one
CID 114065828
4-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]-3,3-dimethylpiperazin-2-one
CID 78946014
4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 114056090
4-(2-chloro-4-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 102824220
1-[4-[(1R)-1-hydroxyethyl]phenyl]-1,4-diazepan-5-one
CID 78941118
4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946539
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 55216894
4-[4-(ethylaminomethyl)-3-methylphenyl]-3,3-dimethylpiperazin-2-one
CID 63606658
2-chloro-4-(2,2-dimethyl-3-oxopiperazin-1-yl)benzonitrile
CID 63607098
4-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-2-carbothioamide
CID 63605920

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one (CID 78946536) is 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one is C[C@@H](O)c1ccc(N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is JZPCDRGFXRUFPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)11-4-6-12(7-5-11)16-9-8-15-13(18)14(16,2)3/h4-7,10,17H,8-9H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 78946536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).