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

C17H23F3N2O — CID 126459919

IUPAC4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16-6-2-1-4-14(16)12-21-7-3-5-15(13-21)22-8-10-23-11-9-22/h1-2,4,6,15H,3,5,7-13H2
InChIKeyCHYZFYSKBXDNLH-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.00
Rot. Bonds3

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

4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine (PubChem CID 126459919) 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-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine
PubChem CID126459919
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16-6-2-1-4-14(16)12-21-7-3-5-15(13-21)22-8-10-23-11-9-22/h1-2,4,6,15H,3,5,7-13H2
InChIKeyCHYZFYSKBXDNLH-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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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine (CID 126459919) is 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine is FC(F)(F)c1ccccc1CN1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine?
The InChIKey is CHYZFYSKBXDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)16-6-2-1-4-14(16)12-21-7-3-5-15(13-21)22-8-10-23-11-9-22/h1-2,4,6,15H,3,5,7-13H2.
What are the key properties of 4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine?
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-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-3-yl]morpholine is sourced from PubChem (CID 126459919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).