4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine

C18H20FN3O — CID 127250989

IUPAC4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
SMILESFc1ccccc1-c1cncc(C2CN(CC3CC3)CCO2)n1
InChIInChI=1S/C18H20FN3O/c19-15-4-2-1-3-14(15)16-9-20-10-17(21-16)18-12-22(7-8-23-18)11-13-5-6-13/h1-4,9-10,13,18H,5-8,11-12H2
InChIKeyUUHNYZUFVIKXTG-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds4

About 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine

4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine (PubChem CID 127250989) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
PubChem CID127250989
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
SMILESFc1ccccc1-c1cncc(C2CN(CC3CC3)CCO2)n1
InChIInChI=1S/C18H20FN3O/c19-15-4-2-1-3-14(15)16-9-20-10-17(21-16)18-12-22(7-8-23-18)11-13-5-6-13/h1-4,9-10,13,18H,5-8,11-12H2
InChIKeyUUHNYZUFVIKXTG-UHFFFAOYSA-N
XLogP3.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine (CID 127250989) is 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine is Fc1ccccc1-c1cncc(C2CN(CC3CC3)CCO2)n1.
What is the InChIKey of 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
The InChIKey is UUHNYZUFVIKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-4-2-1-3-14(15)16-9-20-10-17(21-16)18-12-22(7-8-23-18)11-13-5-6-13/h1-4,9-10,13,18H,5-8,11-12H2.
What are the key properties of 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine has a molecular weight of 313.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 127250989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).