1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen

C22H40N2O2 — CID 171567392

IUPAC1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen
SMILESCN1CCC2CC[C@@H](N3CCCCC3)CC21.COc1ccccc1OC.[H][H].[H][H]
InChIInChI=1S/C14H26N2.C8H10O2.2H2/c1-15-10-7-12-5-6-13(11-14(12)15)16-8-3-2-4-9-16;1-9-7-5-3-4-6-8(7)10-2;;/h12-14H,2-11H2,1H3;3-6H,1-2H3;2*1H/t12?,13-,14?;;;/m1.../s1
InChIKeyOWTORMUECJSSEL-CBWQAWGWSA-N
MW364.57 g/mol
LogP4.54
Rot. Bonds3

About 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen

1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen (PubChem CID 171567392) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen.

Molecular Properties

Compound Name1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen
PubChem CID171567392
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen
SMILESCN1CCC2CC[C@@H](N3CCCCC3)CC21.COc1ccccc1OC.[H][H].[H][H]
InChIInChI=1S/C14H26N2.C8H10O2.2H2/c1-15-10-7-12-5-6-13(11-14(12)15)16-8-3-2-4-9-16;1-9-7-5-3-4-6-8(7)10-2;;/h12-14H,2-11H2,1H3;3-6H,1-2H3;2*1H/t12?,13-,14?;;;/m1.../s1
InChIKeyOWTORMUECJSSEL-CBWQAWGWSA-N
XLogP4.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen with MolForge

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Related Compounds

(7aS)-1-methyl-6-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;1,2-dimethoxybenzene;ethane
CID 171567539
2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10308007
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56911529
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
3-(2-methoxyphenyl)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazine
CID 166260341
4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine
CID 58772449
1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one
CID 171562818
2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 6733175
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen?
The IUPAC name of 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen (CID 171567392) is 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen.
What is the SMILES notation for 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen?
The canonical SMILES for 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen is CN1CCC2CC[C@@H](N3CCCCC3)CC21.COc1ccccc1OC.[H][H].[H][H].
What is the InChIKey of 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen?
The InChIKey is OWTORMUECJSSEL-CBWQAWGWSA-N. The full InChI is InChI=1S/C14H26N2.C8H10O2.2H2/c1-15-10-7-12-5-6-13(11-14(12)15)16-8-3-2-4-9-16;1-9-7-5-3-4-6-8(7)10-2;;/h12-14H,2-11H2,1H3;3-6H,1-2H3;2*1H/t12?,13-,14?;;;/m1.../s1.
What are the key properties of 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen?
1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen has a molecular weight of 364.57 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen is sourced from PubChem (CID 171567392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).