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

C20H24N2O2 — CID 171782007

IUPAC(9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESc1ccc(COc2ccccc2N2CCN3CCOC[C@H]3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)15-24-20-9-5-4-8-19(20)22-11-10-21-12-13-23-16-18(21)14-22/h1-9,18H,10-16H2/t18-/m1/s1
InChIKeyOLUCKHMTGCKTTE-GOSISDBHSA-N
MW324.42 g/mol
LogP2.79
Rot. Bonds4

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

(9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 171782007) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID171782007
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESc1ccc(COc2ccccc2N2CCN3CCOC[C@H]3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)15-24-20-9-5-4-8-19(20)22-11-10-21-12-13-23-16-18(21)14-22/h1-9,18H,10-16H2/t18-/m1/s1
InChIKeyOLUCKHMTGCKTTE-GOSISDBHSA-N
XLogP2.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 171782007) is (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is c1ccc(COc2ccccc2N2CCN3CCOC[C@H]3C2)cc1.
What is the InChIKey of (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is OLUCKHMTGCKTTE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)15-24-20-9-5-4-8-19(20)22-11-10-21-12-13-23-16-18(21)14-22/h1-9,18H,10-16H2/t18-/m1/s1.
What are the key properties of (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 324.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-(2-phenylmethoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 171782007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).