4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine

C17H23F3N2O — CID 171691368

IUPAC4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-14(16)13-21-7-5-15(6-8-21)22-9-11-23-12-10-22/h1-4,15H,5-13H2
InChIKeyQJKALCNRRTWQEB-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.00
Rot. Bonds3

About 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine

4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine (PubChem CID 171691368) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
PubChem CID171691368
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-14(16)13-21-7-5-15(6-8-21)22-9-11-23-12-10-22/h1-4,15H,5-13H2
InChIKeyQJKALCNRRTWQEB-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 95990939
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781
1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-2-one
CID 134792490
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
pyridin-2-yl-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 142654869
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine (CID 171691368) is 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine is FC(F)(F)c1ccccc1CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
The InChIKey is QJKALCNRRTWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-14(16)13-21-7-5-15(6-8-21)22-9-11-23-12-10-22/h1-4,15H,5-13H2.
What are the key properties of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine has a molecular weight of 328.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 171691368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).