2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile

C15H25N3O2 — CID 79903177

IUPAC2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C15H25N3O2/c1-13(11-16)17-4-6-18(7-5-17)14-2-8-20-15(10-14)3-9-19-12-15/h13-14H,2-10,12H2,1H3
InChIKeyKIUBMBQQPPKQFM-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.85
Rot. Bonds2

About 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile

2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile (PubChem CID 79903177) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
PubChem CID79903177
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C15H25N3O2/c1-13(11-16)17-4-6-18(7-5-17)14-2-8-20-15(10-14)3-9-19-12-15/h13-14H,2-10,12H2,1H3
InChIKeyKIUBMBQQPPKQFM-UHFFFAOYSA-N
XLogP0.85
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
CID 79903495
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 79898066
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
CID 79897600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile (CID 79903177) is 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(C2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile?
The InChIKey is KIUBMBQQPPKQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13(11-16)17-4-6-18(7-5-17)14-2-8-20-15(10-14)3-9-19-12-15/h13-14H,2-10,12H2,1H3.
What are the key properties of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile?
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile has a molecular weight of 279.38 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 79903177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).