N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine

C22H37N3O2 — CID 143169342

IUPACN-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1ccc(C2CCCC3CN(C)CCN32)c(C)c1C
InChIInChI=1S/C22H37N3O2/c1-17-18(2)22(27-15-11-23-10-14-26-4)9-8-20(17)21-7-5-6-19-16-24(3)12-13-25(19)21/h8-9,19,21,23H,5-7,10-16H2,1-4H3
InChIKeyZAPDQPRLQCCMQF-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.76
Rot. Bonds8

About N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine

N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine (PubChem CID 143169342) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine
PubChem CID143169342
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1ccc(C2CCCC3CN(C)CCN32)c(C)c1C
InChIInChI=1S/C22H37N3O2/c1-17-18(2)22(27-15-11-23-10-14-26-4)9-8-20(17)21-7-5-6-19-16-24(3)12-13-25(19)21/h8-9,19,21,23H,5-7,10-16H2,1-4H3
InChIKeyZAPDQPRLQCCMQF-UHFFFAOYSA-N
XLogP2.76
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine with MolForge

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Related Compounds

[(9aS)-6-[4-[2-(3-methoxypropylamino)ethoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58589124
ethane;6-[4-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethylphenyl]-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 143169307
[(9aS)-6-[4-[3-(2-hydroxyethylamino)propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-chlorophenyl)methanone
CID 58588692
(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-6-[2,3-dimethyl-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 58589257
[6-[2,3-dimethyl-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 76824755
N-[2-[4-[(6R)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]ethyl]pyridin-4-amine
CID 143169316
[(9aS)-6-[2,3-dimethyl-4-[4-(methylamino)butoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58588971
(6R)-2-(4-chloro-3-methoxyphenyl)-6-[2,3-dimethyl-4-(3-methylbutoxy)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 143169531
(5-chlorothiophen-2-yl)-[(6R)-6-[4-(2-hydroxyethoxy)-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methanone
CID 143169453
[(6R)-6-[4-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 162603702
4-[4-[4-[(6R,9aS)-2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]butyl]morpholine
CID 58588911
[(6R,9aS)-6-[2,3-dimethyl-4-[4-(methylamino)butoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 58589054

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine (CID 143169342) is N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine is COCCNCCOc1ccc(C2CCCC3CN(C)CCN32)c(C)c1C.
What is the InChIKey of N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine?
The InChIKey is ZAPDQPRLQCCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-17-18(2)22(27-15-11-23-10-14-26-4)9-8-20(17)21-7-5-6-19-16-24(3)12-13-25(19)21/h8-9,19,21,23H,5-7,10-16H2,1-4H3.
What are the key properties of N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine?
N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine has a molecular weight of 375.56 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-dimethyl-4-(2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl)phenoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 143169342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).