propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate

C14H26N2O2 — CID 78992574

IUPACpropan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate
SMILESCC(C)OC(=O)CN1CC2CCCCN2CC1C
InChIInChI=1S/C14H26N2O2/c1-11(2)18-14(17)10-16-9-13-6-4-5-7-15(13)8-12(16)3/h11-13H,4-10H2,1-3H3
InChIKeyGVMMGCFEUONXPG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds3

About propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate

propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate (PubChem CID 78992574) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate
PubChem CID78992574
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namepropan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate
SMILESCC(C)OC(=O)CN1CC2CCCCN2CC1C
InChIInChI=1S/C14H26N2O2/c1-11(2)18-14(17)10-16-9-13-6-4-5-7-15(13)8-12(16)3/h11-13H,4-10H2,1-3H3
InChIKeyGVMMGCFEUONXPG-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-one
CID 79943883
3,3-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-one
CID 79943168
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
(E)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)but-2-enoic acid
CID 79930721
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973
methyl 2-bromo-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 81100436
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79924849
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
2-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
CID 79938635
3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114264828
methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate
CID 79943465

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate (CID 78992574) is propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate is CC(C)OC(=O)CN1CC2CCCCN2CC1C.
What is the InChIKey of propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate?
The InChIKey is GVMMGCFEUONXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)18-14(17)10-16-9-13-6-4-5-7-15(13)8-12(16)3/h11-13H,4-10H2,1-3H3.
What are the key properties of propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate?
propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate has a molecular weight of 254.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate is sourced from PubChem (CID 78992574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).