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

C16H30N2O — CID 79926070

IUPAC2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCCC2CN1C1CCOCC1
InChIInChI=1S/C16H30N2O/c1-13(2)16-12-17-8-4-3-5-15(17)11-18(16)14-6-9-19-10-7-14/h13-16H,3-12H2,1-2H3
InChIKeyLBMVONLNIRGPFC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.36
Rot. Bonds2

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

2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79926070) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79926070
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCCC2CN1C1CCOCC1
InChIInChI=1S/C16H30N2O/c1-13(2)16-12-17-8-4-3-5-15(17)11-18(16)14-6-9-19-10-7-14/h13-16H,3-12H2,1-2H3
InChIKeyLBMVONLNIRGPFC-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxolan-3-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 82737587
2-(oxan-4-ylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926700
3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925986
2-(4-ethylcyclohexyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939155
3-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944515
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707
2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916422
3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 79932128
2-(1-cyclopentylethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925947
2-(cyclopentylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926542
2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944735
2-butyl-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926630

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79926070) is 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC(C)C1CN2CCCCC2CN1C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is LBMVONLNIRGPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)16-12-17-8-4-3-5-15(17)11-18(16)14-6-9-19-10-7-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 266.43 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79926070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).