2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol

C11H23N3O2 — CID 66197330

IUPAC2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
SMILESOCCOCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H23N3O2/c15-6-8-16-7-5-13-9-11(10-13)14-3-1-12-2-4-14/h11-12,15H,1-10H2
InChIKeyKBZUWEAAIOPXGT-UHFFFAOYSA-N
MW229.32 g/mol
LogP-1.42
Rot. Bonds6

About 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol

2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol (PubChem CID 66197330) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
PubChem CID66197330
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
SMILESOCCOCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H23N3O2/c15-6-8-16-7-5-13-9-11(10-13)14-3-1-12-2-4-14/h11-12,15H,1-10H2
InChIKeyKBZUWEAAIOPXGT-UHFFFAOYSA-N
XLogP-1.42
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
CID 112590921
2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol
CID 111439692
2-[2-(3-aminoazetidin-1-yl)ethoxy]ethanol
CID 63761317
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
CID 66195417
1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
CID 66196373
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
CID 103536895
ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
CID 143311631
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol (CID 66197330) is 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol is OCCOCCN1CC(N2CCNCC2)C1.
What is the InChIKey of 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol?
The InChIKey is KBZUWEAAIOPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c15-6-8-16-7-5-13-9-11(10-13)14-3-1-12-2-4-14/h11-12,15H,1-10H2.
What are the key properties of 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol?
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol has a molecular weight of 229.32 g/mol, XLogP of -1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol is sourced from PubChem (CID 66197330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).