1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine

C27H30FNO2 — CID 18412137

IUPAC1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine
SMILESFc1ccc(OCCCCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C27H30FNO2/c28-24-10-14-25(15-11-24)30-21-5-4-18-29-19-16-23(17-20-29)22-8-12-27(13-9-22)31-26-6-2-1-3-7-26/h1-3,6-15,23H,4-5,16-21H2
InChIKeyUGZYMAQYBOMUAY-UHFFFAOYSA-N
MW419.54 g/mol
LogP6.66
Rot. Bonds9

About 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine

1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine (PubChem CID 18412137) has the molecular formula C27H30FNO2 and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine
PubChem CID18412137
Molecular FormulaC27H30FNO2
Molecular Weight419.54 g/mol
Exact Mass419.23
IUPAC Name1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine
SMILESFc1ccc(OCCCCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C27H30FNO2/c28-24-10-14-25(15-11-24)30-21-5-4-18-29-19-16-23(17-20-29)22-8-12-27(13-9-22)31-26-6-2-1-3-7-26/h1-3,6-15,23H,4-5,16-21H2
InChIKeyUGZYMAQYBOMUAY-UHFFFAOYSA-N
XLogP6.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine?
The IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine (CID 18412137) is 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine is Fc1ccc(OCCCCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine?
The InChIKey is UGZYMAQYBOMUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO2/c28-24-10-14-25(15-11-24)30-21-5-4-18-29-19-16-23(17-20-29)22-8-12-27(13-9-22)31-26-6-2-1-3-7-26/h1-3,6-15,23H,4-5,16-21H2.
What are the key properties of 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine?
1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine has a molecular weight of 419.54 g/mol, XLogP of 6.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butyl]-4-(4-phenoxyphenyl)piperidine is sourced from PubChem (CID 18412137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).