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

C14H22N2O2 — CID 79903946

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22N2O2/c15-10-13-3-1-2-6-16(13)12-4-7-18-14(9-12)5-8-17-11-14/h12-13H,1-9,11H2
InChIKeyANIHLIYTZOMWAR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds1

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile (PubChem CID 79903946) 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-2-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
PubChem CID79903946
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22N2O2/c15-10-13-3-1-2-6-16(13)12-4-7-18-14(9-12)5-8-17-11-14/h12-13H,1-9,11H2
InChIKeyANIHLIYTZOMWAR-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79904021
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
CID 79904096
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901180
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316834
1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
CID 79905951
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
CID 79903177
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile (CID 79903946) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile is N#CC1CCCCN1C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
The InChIKey is ANIHLIYTZOMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-10-13-3-1-2-6-16(13)12-4-7-18-14(9-12)5-8-17-11-14/h12-13H,1-9,11H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile has a molecular weight of 250.34 g/mol, XLogP of 1.70, 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-2-carbonitrile is sourced from PubChem (CID 79903946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).