1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine

C11H23N3O2 — CID 81093537

IUPAC1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
SMILESCOC(CN1CCN(C2CNC2)CC1)OC
InChIInChI=1S/C11H23N3O2/c1-15-11(16-2)9-13-3-5-14(6-4-13)10-7-12-8-10/h10-12H,3-9H2,1-2H3
InChIKeyRYDMGYWFHRBDOY-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.81
Rot. Bonds5

About 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine

1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine (PubChem CID 81093537) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
PubChem CID81093537
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
SMILESCOC(CN1CCN(C2CNC2)CC1)OC
InChIInChI=1S/C11H23N3O2/c1-15-11(16-2)9-13-3-5-14(6-4-13)10-7-12-8-10/h10-12H,3-9H2,1-2H3
InChIKeyRYDMGYWFHRBDOY-UHFFFAOYSA-N
XLogP-0.81
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine (CID 81093537) is 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine is COC(CN1CCN(C2CNC2)CC1)OC.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine?
The InChIKey is RYDMGYWFHRBDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-15-11(16-2)9-13-3-5-14(6-4-13)10-7-12-8-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine?
1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine has a molecular weight of 229.32 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine is sourced from PubChem (CID 81093537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).