4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine

C16H23FN2O — CID 117446569

IUPAC4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
SMILESFc1cc(CC2CCCNC2)ccc1N1CCOCC1
InChIInChI=1S/C16H23FN2O/c17-15-11-13(10-14-2-1-5-18-12-14)3-4-16(15)19-6-8-20-9-7-19/h3-4,11,14,18H,1-2,5-10,12H2
InChIKeyOBLRIIGCNUZYPH-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.20
Rot. Bonds3

About 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine

4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine (PubChem CID 117446569) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
PubChem CID117446569
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
SMILESFc1cc(CC2CCCNC2)ccc1N1CCOCC1
InChIInChI=1S/C16H23FN2O/c17-15-11-13(10-14-2-1-5-18-12-14)3-4-16(15)19-6-8-20-9-7-19/h3-4,11,14,18H,1-2,5-10,12H2
InChIKeyOBLRIIGCNUZYPH-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine?
The IUPAC name of 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine (CID 117446569) is 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine is Fc1cc(CC2CCCNC2)ccc1N1CCOCC1.
What is the InChIKey of 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine?
The InChIKey is OBLRIIGCNUZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-11-13(10-14-2-1-5-18-12-14)3-4-16(15)19-6-8-20-9-7-19/h3-4,11,14,18H,1-2,5-10,12H2.
What are the key properties of 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine?
4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine has a molecular weight of 278.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 117446569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).