3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde

C15H26N2O2 — CID 79925181

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde
SMILESO=CC1(CN2CCN3CCCCC3C2)CCCOC1
InChIInChI=1S/C15H26N2O2/c18-12-15(5-3-9-19-13-15)11-16-7-8-17-6-2-1-4-14(17)10-16/h12,14H,1-11,13H2
InChIKeyGTINPCIKTQUIIW-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.15
Rot. Bonds3

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde (PubChem CID 79925181) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde
PubChem CID79925181
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde
SMILESO=CC1(CN2CCN3CCCCC3C2)CCCOC1
InChIInChI=1S/C15H26N2O2/c18-12-15(5-3-9-19-13-15)11-16-7-8-17-6-2-1-4-14(17)10-16/h12,14H,1-11,13H2
InChIKeyGTINPCIKTQUIIW-UHFFFAOYSA-N
XLogP1.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde (CID 79925181) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde is O=CC1(CN2CCN3CCCCC3C2)CCCOC1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde?
The InChIKey is GTINPCIKTQUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-12-15(5-3-9-19-13-15)11-16-7-8-17-6-2-1-4-14(17)10-16/h12,14H,1-11,13H2.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde has a molecular weight of 266.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxane-3-carbaldehyde is sourced from PubChem (CID 79925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).