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

C17H25FN2O — CID 47053719

IUPAC4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
SMILESFc1cccc(CN2CCC(CN3CCOCC3)CC2)c1
InChIInChI=1S/C17H25FN2O/c18-17-3-1-2-16(12-17)14-19-6-4-15(5-7-19)13-20-8-10-21-11-9-20/h1-3,12,15H,4-11,13-14H2
InChIKeyVXFGUGOLGFQPGK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.37
Rot. Bonds4

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

4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine (PubChem CID 47053719) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
PubChem CID47053719
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
SMILESFc1cccc(CN2CCC(CN3CCOCC3)CC2)c1
InChIInChI=1S/C17H25FN2O/c18-17-3-1-2-16(12-17)14-19-6-4-15(5-7-19)13-20-8-10-21-11-9-20/h1-3,12,15H,4-11,13-14H2
InChIKeyVXFGUGOLGFQPGK-UHFFFAOYSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine (CID 47053719) is 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine is Fc1cccc(CN2CCC(CN3CCOCC3)CC2)c1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is VXFGUGOLGFQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-17-3-1-2-16(12-17)14-19-6-4-15(5-7-19)13-20-8-10-21-11-9-20/h1-3,12,15H,4-11,13-14H2.
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 292.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 47053719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).