(9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine

C14H21N3O2 — CID 158375429

IUPAC(9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine
SMILESCOc1ccccc1NN1CCN2CCOC[C@@H]2C1
InChIInChI=1S/C14H21N3O2/c1-18-14-5-3-2-4-13(14)15-17-7-6-16-8-9-19-11-12(16)10-17/h2-5,12,15H,6-11H2,1H3/t12-/m0/s1
InChIKeyXWVCDABZIRZCOH-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds3

About (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine

(9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine (PubChem CID 158375429) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine.

Molecular Properties

Compound Name(9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine
PubChem CID158375429
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine
SMILESCOc1ccccc1NN1CCN2CCOC[C@@H]2C1
InChIInChI=1S/C14H21N3O2/c1-18-14-5-3-2-4-13(14)15-17-7-6-16-8-9-19-11-12(16)10-17/h2-5,12,15H,6-11H2,1H3/t12-/m0/s1
InChIKeyXWVCDABZIRZCOH-LBPRGKRZSA-N
XLogP1.04
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-(2-chloro-3-methoxyphenyl)methanone
CID 155573258
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 127992628
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
(9aS)-8-(4-methylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 171622300
(3S,4R)-4-(2-methoxyanilino)oxolan-3-ol
CID 93383823
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
1-[3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-2-methoxyphenyl]-3-(2-chloro-3-fluorophenyl)urea
CID 67992738
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
2-hydroxy-3-methoxy-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 126822650
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497

Frequently Asked Questions

What is the IUPAC name of (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine?
The IUPAC name of (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine (CID 158375429) is (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine.
What is the SMILES notation for (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine?
The canonical SMILES for (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine is COc1ccccc1NN1CCN2CCOC[C@@H]2C1.
What is the InChIKey of (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine?
The InChIKey is XWVCDABZIRZCOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-18-14-5-3-2-4-13(14)15-17-7-6-16-8-9-19-11-12(16)10-17/h2-5,12,15H,6-11H2,1H3/t12-/m0/s1.
What are the key properties of (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine?
(9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine has a molecular weight of 263.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-N-(2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-amine is sourced from PubChem (CID 158375429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).