1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine

C32H35NO5 — CID 57356846

About 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine

1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine (PubChem CID 57356846) has the molecular formula C32H35NO5 and a molecular weight of 513.63 g/mol. Its IUPAC name is 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine.

Molecular Properties

• Compound Name: 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine
• PubChem CID: 57356846
• Molecular Formula: C32H35NO5
• Molecular Weight: 513.63 g/mol
• Exact Mass: 513.25
• IUPAC Name: 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine
• SMILES: COc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)CC1=C2COc2ccc(OC)cc21
• InChI: InChI=1S/C32H35NO5/c1-34-24-11-13-30-28(18-24)27-20-31(38-32-19-25(35-2)10-12-26(32)29(27)21-37-30)22-6-8-23(9-7-22)36-17-16-33-14-4-3-5-15-33/h6-13,18-19,31H,3-5,14-17,20-21H2,1-2H3
• InChIKey: FUIWZNGTKJQCBR-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 49.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.63
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine?

The IUPAC name of 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine (CID 57356846) is 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine.

What is the SMILES notation for 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine?

The canonical SMILES for 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine is COc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)CC1=C2COc2ccc(OC)cc21.

What is the InChIKey of 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine?

The InChIKey is FUIWZNGTKJQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO5/c1-34-24-11-13-30-28(18-24)27-20-31(38-32-19-25(35-2)10-12-26(32)29(27)21-37-30)22-6-8-23(9-7-22)36-17-16-33-14-4-3-5-15-33/h6-13,18-19,31H,3-5,14-17,20-21H2,1-2H3.

What are the key properties of 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine?

1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine has a molecular weight of 513.63 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(5,14-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 57356846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).