2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C16H31N3 — CID 79934958

IUPAC2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1(CN2CCN3CCCCC3C2)CCNCC1
InChIInChI=1S/C16H31N3/c1-2-16(6-8-17-9-7-16)14-18-11-12-19-10-4-3-5-15(19)13-18/h15,17H,2-14H2,1H3
InChIKeyUIMRJLLUWFBBPH-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.94
Rot. Bonds3

About 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79934958) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79934958
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1(CN2CCN3CCCCC3C2)CCNCC1
InChIInChI=1S/C16H31N3/c1-2-16(6-8-17-9-7-16)14-18-11-12-19-10-4-3-5-15(19)13-18/h15,17H,2-14H2,1H3
InChIKeyUIMRJLLUWFBBPH-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55224749
2-[(2-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934869
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexyl]methanol
CID 79925342
1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine
CID 63142665
2-[(2-propylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106976479
2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113335807
2-[[4-(bromomethyl)oxan-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934939
2-[(3-methylpiperidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943261
1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 63129487
2-[(1-methylcyclopentyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939110

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79934958) is 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1(CN2CCN3CCCCC3C2)CCNCC1.
What is the InChIKey of 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is UIMRJLLUWFBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-16(6-8-17-9-7-16)14-18-11-12-19-10-4-3-5-15(19)13-18/h15,17H,2-14H2,1H3.
What are the key properties of 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 265.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79934958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).