1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile

C16H26N2O — CID 102898014

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H26N2O/c17-12-14-6-2-5-11-18(14)13-15-7-10-16(19-15)8-3-1-4-9-16/h14-15H,1-11,13H2
InChIKeyNXCRWKAHHGYSRK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile

1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile (PubChem CID 102898014) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile
PubChem CID102898014
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H26N2O/c17-12-14-6-2-5-11-18(14)13-15-7-10-16(19-15)8-3-1-4-9-16/h14-15H,1-11,13H2
InChIKeyNXCRWKAHHGYSRK-UHFFFAOYSA-N
XLogP3.25
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile (CID 102898014) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile is N#CC1CCCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile?
The InChIKey is NXCRWKAHHGYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-12-14-6-2-5-11-18(14)13-15-7-10-16(19-15)8-3-1-4-9-16/h14-15H,1-11,13H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile has a molecular weight of 262.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile is sourced from PubChem (CID 102898014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).