4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine

C19H28F2N2O2 — CID 70726930

IUPAC4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine
SMILESFC(F)Oc1cccc(CN2CCCCC2CCN2CCOCC2)c1
InChIInChI=1S/C19H28F2N2O2/c20-19(21)25-18-6-3-4-16(14-18)15-23-8-2-1-5-17(23)7-9-22-10-12-24-13-11-22/h3-4,6,14,17,19H,1-2,5,7-13,15H2
InChIKeyGTVPTEYAMSDKPA-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.36
Rot. Bonds7

About 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine

4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine (PubChem CID 70726930) has the molecular formula C19H28F2N2O2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine
PubChem CID70726930
Molecular FormulaC19H28F2N2O2
Molecular Weight354.44 g/mol
Exact Mass354.21
IUPAC Name4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine
SMILESFC(F)Oc1cccc(CN2CCCCC2CCN2CCOCC2)c1
InChIInChI=1S/C19H28F2N2O2/c20-19(21)25-18-6-3-4-16(14-18)15-23-8-2-1-5-17(23)7-9-22-10-12-24-13-11-22/h3-4,6,14,17,19H,1-2,5,7-13,15H2
InChIKeyGTVPTEYAMSDKPA-UHFFFAOYSA-N
XLogP3.36
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56895170
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95720641
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
CID 111111621
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95132226
2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
CID 74247164
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
4-[2-[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56893078
1-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111093344

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine (CID 70726930) is 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine is FC(F)Oc1cccc(CN2CCCCC2CCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine?
The InChIKey is GTVPTEYAMSDKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O2/c20-19(21)25-18-6-3-4-16(14-18)15-23-8-2-1-5-17(23)7-9-22-10-12-24-13-11-22/h3-4,6,14,17,19H,1-2,5,7-13,15H2.
What are the key properties of 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine?
4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine has a molecular weight of 354.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine is sourced from PubChem (CID 70726930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).