4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide

C15H20F3N3O — CID 119107058

IUPAC4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)10-21-7-5-13(6-8-21)20-9-11-1-3-12(4-2-11)14(19)22/h1-4,13,20H,5-10H2,(H2,19,22)
InChIKeyRYJSVQHYTOOJHN-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.90
Rot. Bonds5

About 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide

4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide (PubChem CID 119107058) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
PubChem CID119107058
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)10-21-7-5-13(6-8-21)20-9-11-1-3-12(4-2-11)14(19)22/h1-4,13,20H,5-10H2,(H2,19,22)
InChIKeyRYJSVQHYTOOJHN-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide?
The IUPAC name of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide (CID 119107058) is 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide is NC(=O)c1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1.
What is the InChIKey of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide?
The InChIKey is RYJSVQHYTOOJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)10-21-7-5-13(6-8-21)20-9-11-1-3-12(4-2-11)14(19)22/h1-4,13,20H,5-10H2,(H2,19,22).
What are the key properties of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide?
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide has a molecular weight of 315.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 119107058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).