1-(2-fluorophenyl)-4,4-dimethoxypiperidine

C13H18FNO2 — CID 820828

IUPAC1-(2-fluorophenyl)-4,4-dimethoxypiperidine
SMILESCOC1(OC)CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H18FNO2/c1-16-13(17-2)7-9-15(10-8-13)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3
InChIKeyKIKZIAQEPDLOCW-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.41
Rot. Bonds3

About 1-(2-fluorophenyl)-4,4-dimethoxypiperidine

1-(2-fluorophenyl)-4,4-dimethoxypiperidine (PubChem CID 820828) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4,4-dimethoxypiperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4,4-dimethoxypiperidine
PubChem CID820828
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(2-fluorophenyl)-4,4-dimethoxypiperidine
SMILESCOC1(OC)CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H18FNO2/c1-16-13(17-2)7-9-15(10-8-13)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3
InChIKeyKIKZIAQEPDLOCW-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4,4-dimethoxypiperidine?
The IUPAC name of 1-(2-fluorophenyl)-4,4-dimethoxypiperidine (CID 820828) is 1-(2-fluorophenyl)-4,4-dimethoxypiperidine.
What is the SMILES notation for 1-(2-fluorophenyl)-4,4-dimethoxypiperidine?
The canonical SMILES for 1-(2-fluorophenyl)-4,4-dimethoxypiperidine is COC1(OC)CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4,4-dimethoxypiperidine?
The InChIKey is KIKZIAQEPDLOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13(17-2)7-9-15(10-8-13)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4,4-dimethoxypiperidine?
1-(2-fluorophenyl)-4,4-dimethoxypiperidine has a molecular weight of 239.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4,4-dimethoxypiperidine is sourced from PubChem (CID 820828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).