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

C15H26N2O2 — CID 131872684

IUPAC1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
SMILESC1COC2(CCC(N3CCN(C4CC4)CC3)CC2)O1
InChIInChI=1S/C15H26N2O2/c1-2-13(1)16-7-9-17(10-8-16)14-3-5-15(6-4-14)18-11-12-19-15/h13-14H,1-12H2
InChIKeyIXJOENBGIWYPMR-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.45
Rot. Bonds2

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

1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine (PubChem CID 131872684) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
PubChem CID131872684
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
SMILESC1COC2(CCC(N3CCN(C4CC4)CC3)CC2)O1
InChIInChI=1S/C15H26N2O2/c1-2-13(1)16-7-9-17(10-8-16)14-3-5-15(6-4-14)18-11-12-19-15/h13-14H,1-12H2
InChIKeyIXJOENBGIWYPMR-UHFFFAOYSA-N
XLogP1.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine (CID 131872684) is 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine is C1COC2(CCC(N3CCN(C4CC4)CC3)CC2)O1.
What is the InChIKey of 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
The InChIKey is IXJOENBGIWYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-13(1)16-7-9-17(10-8-16)14-3-5-15(6-4-14)18-11-12-19-15/h13-14H,1-12H2.
What are the key properties of 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine?
1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine has a molecular weight of 266.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine is sourced from PubChem (CID 131872684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).