4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

C13H26N2O3 — CID 84585055

IUPAC4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(CCOCCO)CC1(C)C
InChIInChI=1S/C13H26N2O3/c1-11(2)15-12(17)9-14(10-13(15,3)4)5-7-18-8-6-16/h11,16H,5-10H2,1-4H3
InChIKeyCRABOMOHHLETDA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds6

About 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 84585055) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID84585055
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(CCOCCO)CC1(C)C
InChIInChI=1S/C13H26N2O3/c1-11(2)15-12(17)9-14(10-13(15,3)4)5-7-18-8-6-16/h11,16H,5-10H2,1-4H3
InChIKeyCRABOMOHHLETDA-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (CID 84585055) is 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is CC(C)N1C(=O)CN(CCOCCO)CC1(C)C.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is CRABOMOHHLETDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2)15-12(17)9-14(10-13(15,3)4)5-7-18-8-6-16/h11,16H,5-10H2,1-4H3.
What are the key properties of 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethyl]-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 84585055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).