1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine

C15H27N3O2 — CID 66195421

IUPAC1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine
SMILESC1CCC2(C1)OCC(CN1CC(N3CCNCC3)C1)O2
InChIInChI=1S/C15H27N3O2/c1-2-4-15(3-1)19-12-14(20-15)11-17-9-13(10-17)18-7-5-16-6-8-18/h13-14,16H,1-12H2
InChIKeyIOGUVVVMSJNKDJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.26
Rot. Bonds3

About 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine

1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine (PubChem CID 66195421) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine
PubChem CID66195421
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine
SMILESC1CCC2(C1)OCC(CN1CC(N3CCNCC3)C1)O2
InChIInChI=1S/C15H27N3O2/c1-2-4-15(3-1)19-12-14(20-15)11-17-9-13(10-17)18-7-5-16-6-8-18/h13-14,16H,1-12H2
InChIKeyIOGUVVVMSJNKDJ-UHFFFAOYSA-N
XLogP0.26
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine (CID 66195421) is 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine is C1CCC2(C1)OCC(CN1CC(N3CCNCC3)C1)O2.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine?
The InChIKey is IOGUVVVMSJNKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-4-15(3-1)19-12-14(20-15)11-17-9-13(10-17)18-7-5-16-6-8-18/h13-14,16H,1-12H2.
What are the key properties of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine?
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine has a molecular weight of 281.40 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66195421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).