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

C17H27N3 — CID 99951289

IUPAC(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCCc1ccccc1CN1CCN2CCN(C)C[C@@H]2C1
InChIInChI=1S/C17H27N3/c1-3-15-6-4-5-7-16(15)12-19-9-11-20-10-8-18(2)13-17(20)14-19/h4-7,17H,3,8-14H2,1-2H3/t17-/m1/s1
InChIKeyFDTNRLBSAMFAKK-QGZVFWFLSA-N
MW273.42 g/mol
LogP1.68
Rot. Bonds3

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

(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 99951289) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID99951289
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCCc1ccccc1CN1CCN2CCN(C)C[C@@H]2C1
InChIInChI=1S/C17H27N3/c1-3-15-6-4-5-7-16(15)12-19-9-11-20-10-8-18(2)13-17(20)14-19/h4-7,17H,3,8-14H2,1-2H3/t17-/m1/s1
InChIKeyFDTNRLBSAMFAKK-QGZVFWFLSA-N
XLogP1.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124758671
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
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
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
3-[4-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]phenyl]prop-2-yn-1-ol
CID 95137387
1-[(4-chlorophenyl)methyl]-4-(1-methylpyrrolidin-3-yl)piperazine;ethene;2-ethyl-N-methylaniline;formaldehyde
CID 143256983
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
(9aR)-2-[(2,6-difluoro-4-methoxyphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99972713
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanal
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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 99951289) is (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CCc1ccccc1CN1CCN2CCN(C)C[C@@H]2C1.
What is the InChIKey of (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is FDTNRLBSAMFAKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-15-6-4-5-7-16(15)12-19-9-11-20-10-8-18(2)13-17(20)14-19/h4-7,17H,3,8-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 273.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 99951289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).