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

C23H31N3O — CID 124758671

IUPAC(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@H]2C1
InChIInChI=1S/C23H31N3O/c1-24-12-14-26-15-13-25(19-22(26)18-24)17-21-9-5-6-10-23(21)27-16-11-20-7-3-2-4-8-20/h2-10,22H,11-19H2,1H3/t22-/m1/s1
InChIKeyZKJOFEBRLCVCKC-JOCHJYFZSA-N
MW365.52 g/mol
LogP2.74
Rot. Bonds6

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

(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 124758671) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID124758671
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@H]2C1
InChIInChI=1S/C23H31N3O/c1-24-12-14-26-15-13-25(19-22(26)18-24)17-21-9-5-6-10-23(21)27-16-11-20-7-3-2-4-8-20/h2-10,22H,11-19H2,1H3/t22-/m1/s1
InChIKeyZKJOFEBRLCVCKC-JOCHJYFZSA-N
XLogP2.74
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]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-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 77081544
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
(1S,5S)-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74241524
1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29185332
2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 77093838
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 124758671) is (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@H]2C1.
What is the InChIKey of (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is ZKJOFEBRLCVCKC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O/c1-24-12-14-26-15-13-25(19-22(26)18-24)17-21-9-5-6-10-23(21)27-16-11-20-7-3-2-4-8-20/h2-10,22H,11-19H2,1H3/t22-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 365.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 124758671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).