(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C15H23N3O2 — CID 155909707

IUPAC(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCOc1ncccc1CN1CCN2[C@@H](COC[C@@H]2C)C1
InChIInChI=1S/C15H23N3O2/c1-12-10-20-11-14-9-17(6-7-18(12)14)8-13-4-3-5-16-15(13)19-2/h3-5,12,14H,6-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyBZUJGVAHNCNNKI-GXTWGEPZSA-N
MW277.37 g/mol
LogP1.00
Rot. Bonds3

About (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 155909707) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID155909707
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCOc1ncccc1CN1CCN2[C@@H](COC[C@@H]2C)C1
InChIInChI=1S/C15H23N3O2/c1-12-10-20-11-14-9-17(6-7-18(12)14)8-13-4-3-5-16-15(13)19-2/h3-5,12,14H,6-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyBZUJGVAHNCNNKI-GXTWGEPZSA-N
XLogP1.00
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Launch Full Analysis

Related Compounds

(4S,9aR)-4-methyl-8-[(2-phenylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909122
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
(2R,3aR,7aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124831403
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 125187202
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
[(1S,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 137339882
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965

Frequently Asked Questions

What is the IUPAC name of (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 155909707) is (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is COc1ncccc1CN1CCN2[C@@H](COC[C@@H]2C)C1.
What is the InChIKey of (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is BZUJGVAHNCNNKI-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-10-20-11-14-9-17(6-7-18(12)14)8-13-4-3-5-16-15(13)19-2/h3-5,12,14H,6-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 277.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 155909707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).