3-(4-fluorophenoxy)-1-propan-2-ylpiperidine

C14H20FNO — CID 138636971

IUPAC3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11(2)16-9-3-4-14(10-16)17-13-7-5-12(15)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyYDYXQFKTAHCUIA-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.08
Rot. Bonds3

About 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine

3-(4-fluorophenoxy)-1-propan-2-ylpiperidine (PubChem CID 138636971) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
PubChem CID138636971
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11(2)16-9-3-4-14(10-16)17-13-7-5-12(15)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyYDYXQFKTAHCUIA-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine?
The IUPAC name of 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine (CID 138636971) is 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine is CC(C)N1CCCC(Oc2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine?
The InChIKey is YDYXQFKTAHCUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(2)16-9-3-4-14(10-16)17-13-7-5-12(15)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine?
3-(4-fluorophenoxy)-1-propan-2-ylpiperidine has a molecular weight of 237.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-propan-2-ylpiperidine is sourced from PubChem (CID 138636971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).