1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile

C16H26N2O — CID 102848070

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H26N2O/c17-12-14-5-10-18(11-6-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-11,13H2
InChIKeyFFNHZEYJJMXGRY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile

1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile (PubChem CID 102848070) 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-4-carbonitrile.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
PubChem CID102848070
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H26N2O/c17-12-14-5-10-18(11-6-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-11,13H2
InChIKeyFFNHZEYJJMXGRY-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-4-carbonitrile?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile (CID 102848070) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile is N#CC1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is FFNHZEYJJMXGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-12-14-5-10-18(11-6-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-11,13H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 262.40 g/mol, XLogP of 3.10, 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-4-carbonitrile is sourced from PubChem (CID 102848070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).