1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile

C14H22N2O2 — CID 79903651

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H22N2O2/c15-10-12-1-5-16(6-2-12)13-3-7-18-14(9-13)4-8-17-11-14/h12-13H,1-9,11H2
InChIKeyHIPFMWJKOQHICL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.56
Rot. Bonds1

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile (PubChem CID 79903651) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
PubChem CID79903651
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H22N2O2/c15-10-12-1-5-16(6-2-12)13-3-7-18-14(9-13)4-8-17-11-14/h12-13H,1-9,11H2
InChIKeyHIPFMWJKOQHICL-UHFFFAOYSA-N
XLogP1.56
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
CID 79903177
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 79898066
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
CID 79903255
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile (CID 79903651) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile is N#CC1CCN(C2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile?
The InChIKey is HIPFMWJKOQHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-10-12-1-5-16(6-2-12)13-3-7-18-14(9-13)4-8-17-11-14/h12-13H,1-9,11H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile?
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile has a molecular weight of 250.34 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 79903651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).