N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide

C19H20F3N3 — CID 89035968

IUPACN'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide
SMILESN/C(=N\C1CNCC(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1
InChIInChI=1S/C19H20F3N3/c20-19(21,22)16-8-6-13(7-9-16)15-10-17(12-24-11-15)25-18(23)14-4-2-1-3-5-14/h1-9,15,17,24H,10-12H2,(H2,23,25)
InChIKeyXMGDODYHBZSHOJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.56
Rot. Bonds3

About N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide

N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide (PubChem CID 89035968) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide
PubChem CID89035968
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide
SMILESN/C(=N\C1CNCC(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1
InChIInChI=1S/C19H20F3N3/c20-19(21,22)16-8-6-13(7-9-16)15-10-17(12-24-11-15)25-18(23)14-4-2-1-3-5-14/h1-9,15,17,24H,10-12H2,(H2,23,25)
InChIKeyXMGDODYHBZSHOJ-UHFFFAOYSA-N
XLogP3.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide?
The IUPAC name of N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide (CID 89035968) is N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide?
The canonical SMILES for N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide is N/C(=N\C1CNCC(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1.
What is the InChIKey of N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide?
The InChIKey is XMGDODYHBZSHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/c20-19(21,22)16-8-6-13(7-9-16)15-10-17(12-24-11-15)25-18(23)14-4-2-1-3-5-14/h1-9,15,17,24H,10-12H2,(H2,23,25).
What are the key properties of N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide?
N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide has a molecular weight of 347.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 89035968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).