2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine

C19H31N3O — CID 77096751

IUPAC2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(CN2CCN3CCCCC3C2)cc1
InChIInChI=1S/C19H31N3O/c1-20(2)13-14-23-19-8-6-17(7-9-19)15-21-11-12-22-10-4-3-5-18(22)16-21/h6-9,18H,3-5,10-16H2,1-2H3
InChIKeyOZUGZFRWNLKPFG-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine

2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 77096751) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID77096751
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(CN2CCN3CCCCC3C2)cc1
InChIInChI=1S/C19H31N3O/c1-20(2)13-14-23-19-8-6-17(7-9-19)15-21-11-12-22-10-4-3-5-18(22)16-21/h6-9,18H,3-5,10-16H2,1-2H3
InChIKeyOZUGZFRWNLKPFG-UHFFFAOYSA-N
XLogP2.30
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine 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

(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)benzonitrile
CID 25248763
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,N-dimethylpropan-1-amine
CID 115824853
2-(1,3-benzodioxol-5-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915330
N,N-dimethyl-2-[4-[(4-phenyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanamine
CID 131943317
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
CID 25492240
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]ethanamine
CID 123984237
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 79918391
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
[4-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butoxy]phenyl]-tributylstannane
CID 22252300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine (CID 77096751) is 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(CN2CCN3CCCCC3C2)cc1.
What is the InChIKey of 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is OZUGZFRWNLKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-20(2)13-14-23-19-8-6-17(7-9-19)15-21-11-12-22-10-4-3-5-18(22)16-21/h6-9,18H,3-5,10-16H2,1-2H3.
What are the key properties of 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine?
2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 317.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 77096751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).