(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

C22H29N3 — CID 124814478

IUPAC(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCN1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1
InChIInChI=1S/C22H29N3/c1-23-12-14-25-15-13-24(17-21(25)16-23)18-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3/t21-/m1/s1
InChIKeyVJGQEVQPAUCVFP-OAQYLSRUSA-N
MW335.50 g/mol
LogP2.75
Rot. Bonds4

About (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 124814478) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID124814478
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCN1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1
InChIInChI=1S/C22H29N3/c1-23-12-14-25-15-13-24(17-21(25)16-23)18-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3/t21-/m1/s1
InChIKeyVJGQEVQPAUCVFP-OAQYLSRUSA-N
XLogP2.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99951289
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
CID 90779796
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 62368084
(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124758671
(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
2-(3-phenylbutyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79917318
2-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzoic acid
CID 67612586

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 124814478) is (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CN1CCN2CCN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1.
What is the InChIKey of (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is VJGQEVQPAUCVFP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3/c1-23-12-14-25-15-13-24(17-21(25)16-23)18-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3/t21-/m1/s1.
What are the key properties of (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 335.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 124814478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).