1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine

C15H27N3O2 — CID 66204059

IUPAC1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
SMILESC1COC2(CCC(N3CCN(C4CNC4)CC3)CC2)O1
InChIInChI=1S/C15H27N3O2/c1-3-15(19-9-10-20-15)4-2-13(1)17-5-7-18(8-6-17)14-11-16-12-14/h13-14,16H,1-12H2
InChIKeyTVDXVWNTCPIBGN-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.26
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine

1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine (PubChem CID 66204059) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
PubChem CID66204059
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
SMILESC1COC2(CCC(N3CCN(C4CNC4)CC3)CC2)O1
InChIInChI=1S/C15H27N3O2/c1-3-15(19-9-10-20-15)4-2-13(1)17-5-7-18(8-6-17)14-11-16-12-14/h13-14,16H,1-12H2
InChIKeyTVDXVWNTCPIBGN-UHFFFAOYSA-N
XLogP0.26
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine (CID 66204059) is 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine is C1COC2(CCC(N3CCN(C4CNC4)CC3)CC2)O1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
The InChIKey is TVDXVWNTCPIBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-15(19-9-10-20-15)4-2-13(1)17-5-7-18(8-6-17)14-11-16-12-14/h13-14,16H,1-12H2.
What are the key properties of 1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine has a molecular weight of 281.40 g/mol, XLogP of 0.26, 2 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-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine is sourced from PubChem (CID 66204059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).