4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one

C10H19ClN2O2 — CID 54582542

IUPAC4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(CCO)C(=O)C(C)(C)N1Cl
InChIInChI=1S/C10H19ClN2O2/c1-9(2)7-12(5-6-14)8(15)10(3,4)13(9)11/h14H,5-7H2,1-4H3
InChIKeySIXKMUTXKVBKPB-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.83
Rot. Bonds2

About 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one

4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 54582542) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID54582542
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(CCO)C(=O)C(C)(C)N1Cl
InChIInChI=1S/C10H19ClN2O2/c1-9(2)7-12(5-6-14)8(15)10(3,4)13(9)11/h14H,5-7H2,1-4H3
InChIKeySIXKMUTXKVBKPB-UHFFFAOYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one (CID 54582542) is 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one is CC1(C)CN(CCO)C(=O)C(C)(C)N1Cl.
What is the InChIKey of 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is SIXKMUTXKVBKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-9(2)7-12(5-6-14)8(15)10(3,4)13(9)11/h14H,5-7H2,1-4H3.
What are the key properties of 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one?
4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 234.73 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 54582542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).