1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile

C14H22N2O — CID 79903255

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C14H22N2O/c15-10-12-3-1-7-16(11-12)13-4-8-17-14(9-13)5-2-6-14/h12-13H,1-9,11H2
InChIKeyBZGHNWQNMDRZRQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.32
Rot. Bonds1

About 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile

1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile (PubChem CID 79903255) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
PubChem CID79903255
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C14H22N2O/c15-10-12-3-1-7-16(11-12)13-4-8-17-14(9-13)5-2-6-14/h12-13H,1-9,11H2
InChIKeyBZGHNWQNMDRZRQ-UHFFFAOYSA-N
XLogP2.32
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
CID 118533847
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 79902799
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
CID 79903495

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile (CID 79903255) is 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile is N#CC1CCCN(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile?
The InChIKey is BZGHNWQNMDRZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-10-12-3-1-7-16(11-12)13-4-8-17-14(9-13)5-2-6-14/h12-13H,1-9,11H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile?
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile is sourced from PubChem (CID 79903255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).