2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

C16H20FN3O — CID 45190633

IUPAC2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-14(9-18-19)11-20-5-6-21-16(12-20)8-13-3-2-4-15(17)7-13/h2-4,7,9-10,16H,5-6,8,11-12H2,1H3
InChIKeyVEMARMAYLNYXGH-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.00
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 45190633) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID45190633
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-14(9-18-19)11-20-5-6-21-16(12-20)8-13-3-2-4-15(17)7-13/h2-4,7,9-10,16H,5-6,8,11-12H2,1H3
InChIKeyVEMARMAYLNYXGH-UHFFFAOYSA-N
XLogP2.00
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 45190633) is 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cn1cc(CN2CCOC(Cc3cccc(F)c3)C2)cn1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is VEMARMAYLNYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-10-14(9-18-19)11-20-5-6-21-16(12-20)8-13-3-2-4-15(17)7-13/h2-4,7,9-10,16H,5-6,8,11-12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 289.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 45190633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).