4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine

C26H43NO3 — CID 134488948

About 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine

4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine (PubChem CID 134488948) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine.

Molecular Properties

• Compound Name: 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine
• PubChem CID: 134488948
• Molecular Formula: C26H43NO3
• Molecular Weight: 417.63 g/mol
• Exact Mass: 417.32
• IUPAC Name: 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine
• SMILES: CC(C)(C)OCCCc1cccc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)c1
• InChI: InChI=1S/C26H43NO3/c1-25(2,3)28-16-8-10-20-9-7-11-21(17-20)27-14-12-22(13-15-27)29-23-18-24(19-23)30-26(4,5)6/h7,9,11,17,22-24H,8,10,12-16,18-19H2,1-6H3
• InChIKey: UQGBXQZRUAVGCG-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.63
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine?

The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine (CID 134488948) is 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine.

What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine?

The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine is CC(C)(C)OCCCc1cccc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)c1.

What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine?

The InChIKey is UQGBXQZRUAVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c1-25(2,3)28-16-8-10-20-9-7-11-21(17-20)27-14-12-22(13-15-27)29-23-18-24(19-23)30-26(4,5)6/h7,9,11,17,22-24H,8,10,12-16,18-19H2,1-6H3.

What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine?

4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine has a molecular weight of 417.63 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine is sourced from PubChem (CID 134488948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).