4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine

C20H25FN2O — CID 18354657

IUPAC4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCC(c2ccncc2)c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C20H25FN2O/c1-15-13-23(14-16(2)24-15)12-9-20(18-7-10-22-11-8-18)17-3-5-19(21)6-4-17/h3-8,10-11,15-16,20H,9,12-14H2,1-2H3
InChIKeyVDYBVRFTNVOHRQ-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.85
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine

4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine (PubChem CID 18354657) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine
PubChem CID18354657
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCC(c2ccncc2)c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C20H25FN2O/c1-15-13-23(14-16(2)24-15)12-9-20(18-7-10-22-11-8-18)17-3-5-19(21)6-4-17/h3-8,10-11,15-16,20H,9,12-14H2,1-2H3
InChIKeyVDYBVRFTNVOHRQ-UHFFFAOYSA-N
XLogP3.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine (CID 18354657) is 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine is CC1CN(CCC(c2ccncc2)c2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine?
The InChIKey is VDYBVRFTNVOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15-13-23(14-16(2)24-15)12-9-20(18-7-10-22-11-8-18)17-3-5-19(21)6-4-17/h3-8,10-11,15-16,20H,9,12-14H2,1-2H3.
What are the key properties of 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine?
4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine has a molecular weight of 328.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 18354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).