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

C18H25F3N2O — CID 56876001

IUPAC4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CC2CN(CC3CCNCC3)CCO2)c1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)16-3-1-2-15(10-16)11-17-13-23(8-9-24-17)12-14-4-6-22-7-5-14/h1-3,10,14,17,22H,4-9,11-13H2
InChIKeyPOHBJJKMJVODQA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.95
Rot. Bonds4

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

4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 56876001) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID56876001
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CC2CN(CC3CCNCC3)CCO2)c1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)16-3-1-2-15(10-16)11-17-13-23(8-9-24-17)12-14-4-6-22-7-5-14/h1-3,10,14,17,22H,4-9,11-13H2
InChIKeyPOHBJJKMJVODQA-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 56876001) is 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1cccc(CC2CN(CC3CCNCC3)CCO2)c1.
What is the InChIKey of 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is POHBJJKMJVODQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)16-3-1-2-15(10-16)11-17-13-23(8-9-24-17)12-14-4-6-22-7-5-14/h1-3,10,14,17,22H,4-9,11-13H2.
What are the key properties of 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 342.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 56876001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).