1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine

C25H32F3N3O — CID 44529513

IUPAC1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(-c2ccc(CNC3CCN(CCN4CCOCC4)CC3)cc2)cc1
InChIInChI=1S/C25H32F3N3O/c26-25(27,28)23-7-5-22(6-8-23)21-3-1-20(2-4-21)19-29-24-9-11-30(12-10-24)13-14-31-15-17-32-18-16-31/h1-8,24,29H,9-19H2
InChIKeyOCAMJGLNQKWHMM-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.26
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine

1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine (PubChem CID 44529513) has the molecular formula C25H32F3N3O and a molecular weight of 447.55 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
PubChem CID44529513
Molecular FormulaC25H32F3N3O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC Name1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(-c2ccc(CNC3CCN(CCN4CCOCC4)CC3)cc2)cc1
InChIInChI=1S/C25H32F3N3O/c26-25(27,28)23-7-5-22(6-8-23)21-3-1-20(2-4-21)19-29-24-9-11-30(12-10-24)13-14-31-15-17-32-18-16-31/h1-8,24,29H,9-19H2
InChIKeyOCAMJGLNQKWHMM-UHFFFAOYSA-N
XLogP4.26
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine (CID 44529513) is 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine is FC(F)(F)c1ccc(-c2ccc(CNC3CCN(CCN4CCOCC4)CC3)cc2)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
The InChIKey is OCAMJGLNQKWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O/c26-25(27,28)23-7-5-22(6-8-23)21-3-1-20(2-4-21)19-29-24-9-11-30(12-10-24)13-14-31-15-17-32-18-16-31/h1-8,24,29H,9-19H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine?
1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine has a molecular weight of 447.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 44529513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).