1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine

C16H25N3 — CID 79935349

IUPAC1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1N1CCN2CCCCC2C1
InChIInChI=1S/C16H25N3/c1-17-12-14-6-2-3-8-16(14)19-11-10-18-9-5-4-7-15(18)13-19/h2-3,6,8,15,17H,4-5,7,9-13H2,1H3
InChIKeyWRGFYQJYHUKNFA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.08
Rot. Bonds3

About 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine

1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine (PubChem CID 79935349) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
PubChem CID79935349
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1N1CCN2CCCCC2C1
InChIInChI=1S/C16H25N3/c1-17-12-14-6-2-3-8-16(14)19-11-10-18-9-5-4-7-15(18)13-19/h2-3,6,8,15,17H,4-5,7,9-13H2,1H3
InChIKeyWRGFYQJYHUKNFA-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine 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

1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N-methylmethanamine
CID 79925344
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
2-[2-(2-methoxyethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102908462
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
2-(2-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929010
1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylphenyl]-N-methylmethanamine
CID 79934928
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62369129
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55160329
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine (CID 79935349) is 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine is CNCc1ccccc1N1CCN2CCCCC2C1.
What is the InChIKey of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is WRGFYQJYHUKNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-12-14-6-2-3-8-16(14)19-11-10-18-9-5-4-7-15(18)13-19/h2-3,6,8,15,17H,4-5,7,9-13H2,1H3.
What are the key properties of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine?
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79935349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).