tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate

C14H26N2O3 — CID 22940599

IUPACtert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C[C@H](CO)CC[C@@H]2C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-7-6-15-8-11(10-17)4-5-12(15)9-16/h11-12,17H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyUKFJLHLYPJBMCY-VXGBXAGGSA-N
MW270.37 g/mol
LogP1.31
Rot. Bonds1

About tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate

tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate (PubChem CID 22940599) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
PubChem CID22940599
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C[C@H](CO)CC[C@@H]2C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-7-6-15-8-11(10-17)4-5-12(15)9-16/h11-12,17H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyUKFJLHLYPJBMCY-VXGBXAGGSA-N
XLogP1.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 50999127
tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 129463098
tert-butyl 7-amino-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 74893751
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl 3-[(3R)-3-aminopyrrolidin-1-yl]azetidine-1-carboxylate
CID 130748145
2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 86722948
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl (9aS)-7-oxo-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylate
CID 86336489
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate (CID 22940599) is tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate is CC(C)(C)OC(=O)N1CCN2C[C@H](CO)CC[C@@H]2C1.
What is the InChIKey of tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
The InChIKey is UKFJLHLYPJBMCY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-7-6-15-8-11(10-17)4-5-12(15)9-16/h11-12,17H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 22940599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).