1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane

C60H81N5O6 — CID 157072660

About 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane

1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 157072660) has the molecular formula C60H81N5O6 and a molecular weight of 968.34 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane
• PubChem CID: 157072660
• Molecular Formula: C60H81N5O6
• Molecular Weight: 968.34 g/mol
• Exact Mass: 967.62
• IUPAC Name: 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane
• SMILES: CCN1CCN(c2ccc(OC)cc2)CC1.COc1ccc(N2CCC3(CC2)OCCCO3)cc1.COc1ccc(N2CCCC3CCCCC32)cc1.COc1ccc(N2CCc3ccccc3C2)cc1
• InChI: InChI=1S/C16H23NO.C16H17NO.C15H21NO3.C13H20N2O/c1-18-15-10-8-14(9-11-15)17-12-4-6-13-5-2-3-7-16(13)17;1-18-16-8-6-15(7-9-16)17-11-10-13-4-2-3-5-14(13)12-17;1-17-14-5-3-13(4-6-14)16-9-7-15(8-10-16)18-11-2-12-19-15;1-3-14-8-10-15(11-9-14)12-4-6-13(16-2)7-5-12/h8-11,13,16H,2-7,12H2,1H3;2-9H,10-12H2,1H3;3-6H,2,7-12H2,1H3;4-7H,3,8-11H2,1-2H3
• InChIKey: ACPOBGKCUXJLPE-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 71.58 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.34
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane?

The IUPAC name of 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 157072660) is 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane.

What is the SMILES notation for 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane?

The canonical SMILES for 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane is CCN1CCN(c2ccc(OC)cc2)CC1.COc1ccc(N2CCC3(CC2)OCCCO3)cc1.COc1ccc(N2CCCC3CCCCC32)cc1.COc1ccc(N2CCc3ccccc3C2)cc1.

What is the InChIKey of 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane?

The InChIKey is ACPOBGKCUXJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C16H17NO.C15H21NO3.C13H20N2O/c1-18-15-10-8-14(9-11-15)17-12-4-6-13-5-2-3-7-16(13)17;1-18-16-8-6-15(7-9-16)17-11-10-13-4-2-3-5-14(13)12-17;1-17-14-5-3-13(4-6-14)16-9-7-15(8-10-16)18-11-2-12-19-15;1-3-14-8-10-15(11-9-14)12-4-6-13(16-2)7-5-12/h8-11,13,16H,2-7,12H2,1H3;2-9H,10-12H2,1H3;3-6H,2,7-12H2,1H3;4-7H,3,8-11H2,1-2H3.

What are the key properties of 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane?

1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 968.34 g/mol, XLogP of 11.38, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 157072660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).