4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one

C17H21F3N2O2 — CID 134788079

IUPAC4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-3-1-13(2-4-14)11-21-7-5-15(6-8-21)22-9-10-24-12-16(22)23/h1-4,15H,5-12H2
InChIKeyLMAMISCJZZLGNC-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.53
Rot. Bonds3

About 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one

4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 134788079) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one
PubChem CID134788079
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)14-3-1-13(2-4-14)11-21-7-5-15(6-8-21)22-9-10-24-12-16(22)23/h1-4,15H,5-12H2
InChIKeyLMAMISCJZZLGNC-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
1-(9-Benzhydryl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3234683
3-(morpholinocarbonyl)-1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinone
CID 4318238
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
US10927128, Example 24
CID 135332733
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 68
CID 135374675
US10927128, Example 69
CID 135374765
US10927128, Example 84
CID 135374773
US10927128, Example 85
CID 135374927
US10927128, Example 70
CID 135374933

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one (CID 134788079) is 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one is O=C1COCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is LMAMISCJZZLGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)14-3-1-13(2-4-14)11-21-7-5-15(6-8-21)22-9-10-24-12-16(22)23/h1-4,15H,5-12H2.
What are the key properties of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one?
4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 342.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134788079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).