3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C18H28N2O — CID 78992273

IUPAC3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1cccc(OCCN2CC3CCCCN3CC2C)c1
InChIInChI=1S/C18H28N2O/c1-15-6-5-8-18(12-15)21-11-10-19-14-17-7-3-4-9-20(17)13-16(19)2/h5-6,8,12,16-17H,3-4,7,9-11,13-14H2,1-2H3
InChIKeyQZTVXRWZCLUUDD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.93
Rot. Bonds4

About 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 78992273) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID78992273
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1cccc(OCCN2CC3CCCCN3CC2C)c1
InChIInChI=1S/C18H28N2O/c1-15-6-5-8-18(12-15)21-11-10-19-14-17-7-3-4-9-20(17)13-16(19)2/h5-6,8,12,16-17H,3-4,7,9-11,13-14H2,1-2H3
InChIKeyQZTVXRWZCLUUDD-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 124780364
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
2-[2-(3-fluorophenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925729
9-[2-(3-methylphenoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712519
3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79308881
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920
1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898554
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 78992273) is 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cc1cccc(OCCN2CC3CCCCN3CC2C)c1.
What is the InChIKey of 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is QZTVXRWZCLUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-6-5-8-18(12-15)21-11-10-19-14-17-7-3-4-9-20(17)13-16(19)2/h5-6,8,12,16-17H,3-4,7,9-11,13-14H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 288.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 78992273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).