4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine

C22H26F3NO2 — CID 126757455

About 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine

4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine (PubChem CID 126757455) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine.

Molecular Properties

• Compound Name: 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine
• PubChem CID: 126757455
• Molecular Formula: C22H26F3NO2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine
• SMILES: C/C=C(\OC)C1CCN(C(c2ccc3cc(OC)ccc3c2)C(F)(F)F)CC1
• InChI: InChI=1S/C22H26F3NO2/c1-4-20(28-3)15-9-11-26(12-10-15)21(22(23,24)25)18-6-5-17-14-19(27-2)8-7-16(17)13-18/h4-8,13-15,21H,9-12H2,1-3H3/b20-4-
• InChIKey: FSSYPDFAGQVHPD-YQLNASGTSA-N
• XLogP: 5.71
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine?

The IUPAC name of 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine (CID 126757455) is 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine.

What is the SMILES notation for 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine?

The canonical SMILES for 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine is C/C=C(\OC)C1CCN(C(c2ccc3cc(OC)ccc3c2)C(F)(F)F)CC1.

What is the InChIKey of 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine?

The InChIKey is FSSYPDFAGQVHPD-YQLNASGTSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-4-20(28-3)15-9-11-26(12-10-15)21(22(23,24)25)18-6-5-17-14-19(27-2)8-7-16(17)13-18/h4-8,13-15,21H,9-12H2,1-3H3/b20-4-.

What are the key properties of 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine?

4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine has a molecular weight of 393.45 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-1-methoxyprop-1-enyl]-1-[2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethyl]piperidine is sourced from PubChem (CID 126757455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).