2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine

C16H22FNO2 — CID 45200040

IUPAC2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine
SMILESFc1ccc(CC2CN(C3CCOCC3)CCO2)cc1
InChIInChI=1S/C16H22FNO2/c17-14-3-1-13(2-4-14)11-16-12-18(7-10-20-16)15-5-8-19-9-6-15/h1-4,15-16H,5-12H2
InChIKeyGUGYCPTTYMMVRX-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.25
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine

2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine (PubChem CID 45200040) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine
PubChem CID45200040
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine
SMILESFc1ccc(CC2CN(C3CCOCC3)CCO2)cc1
InChIInChI=1S/C16H22FNO2/c17-14-3-1-13(2-4-14)11-16-12-18(7-10-20-16)15-5-8-19-9-6-15/h1-4,15-16H,5-12H2
InChIKeyGUGYCPTTYMMVRX-UHFFFAOYSA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
trans-(1S,2S)-N,N-dimethyl-2-(3-phenylpropoxy)cyclohexan-1-amine
CID 71769137
US11214540, Example 21
CID 142475107
Piperidine, 1-(2-(phenethyloxy)phenyl)-
CID 213757
1-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-ol
CID 3678809
4-[(2,6-Difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737725
3-(4-Fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
CID 90674173
4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine
CID 10066909
Morpholine, 4-(3-((p-fluoro-alpha-phenylbenzyl)oxy)propyl)-, hydrochloride
CID 200799
1,1'-{2-[(4-Fluorobenzyl)oxy]propane-1,3-diyl}dipiperidine
CID 794205
4-[(1R,2R)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine
CID 11595596
(3S,4R)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422405

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine (CID 45200040) is 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine is Fc1ccc(CC2CN(C3CCOCC3)CCO2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine?
The InChIKey is GUGYCPTTYMMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-3-1-13(2-4-14)11-16-12-18(7-10-20-16)15-5-8-19-9-6-15/h1-4,15-16H,5-12H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine?
2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine has a molecular weight of 279.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(oxan-4-yl)morpholine is sourced from PubChem (CID 45200040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).