4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine

C17H24FNO2 — CID 131899608

IUPAC4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
SMILESFc1ccc(OC2CCN(CC3CCCOC3)CC2)cc1
InChIInChI=1S/C17H24FNO2/c18-15-3-5-16(6-4-15)21-17-7-9-19(10-8-17)12-14-2-1-11-20-13-14/h3-6,14,17H,1-2,7-13H2
InChIKeyOZSQADUNPQCDLV-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.10
Rot. Bonds4

About 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine

4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine (PubChem CID 131899608) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
PubChem CID131899608
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
SMILESFc1ccc(OC2CCN(CC3CCCOC3)CC2)cc1
InChIInChI=1S/C17H24FNO2/c18-15-3-5-16(6-4-15)21-17-7-9-19(10-8-17)12-14-2-1-11-20-13-14/h3-6,14,17H,1-2,7-13H2
InChIKeyOZSQADUNPQCDLV-UHFFFAOYSA-N
XLogP3.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine (CID 131899608) is 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine is Fc1ccc(OC2CCN(CC3CCCOC3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine?
The InChIKey is OZSQADUNPQCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-15-3-5-16(6-4-15)21-17-7-9-19(10-8-17)12-14-2-1-11-20-13-14/h3-6,14,17H,1-2,7-13H2.
What are the key properties of 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine?
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine has a molecular weight of 293.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine is sourced from PubChem (CID 131899608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).