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

C15H24N2O — CID 79904021

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H24N2O/c16-12-14-5-1-4-9-17(14)13-6-10-18-15(11-13)7-2-3-8-15/h13-14H,1-11H2
InChIKeySNFKAFMQGXFMPE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds1

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

1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile (PubChem CID 79904021) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
PubChem CID79904021
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H24N2O/c16-12-14-5-1-4-9-17(14)13-6-10-18-15(11-13)7-2-3-8-15/h13-14H,1-11H2
InChIKeySNFKAFMQGXFMPE-UHFFFAOYSA-N
XLogP2.86
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-2-carbonitrile
CID 79903946
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
N'-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carboximidamide
CID 79906422
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901179
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
CID 79903255
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile (CID 79904021) is 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile is N#CC1CCCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
The InChIKey is SNFKAFMQGXFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-12-14-5-1-4-9-17(14)13-6-10-18-15(11-13)7-2-3-8-15/h13-14H,1-11H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile?
1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile is sourced from PubChem (CID 79904021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).