N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide

C16H22F3N3O — CID 54521282

IUPACN'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NOCCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-7-4-6-13(12-14)15(20)21-23-11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11H2,(H2,20,21)
InChIKeyYQAIHTGRYGYMPY-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.22
Rot. Bonds6

About N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide

N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 54521282) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID54521282
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NOCCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-7-4-6-13(12-14)15(20)21-23-11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11H2,(H2,20,21)
InChIKeyYQAIHTGRYGYMPY-UHFFFAOYSA-N
XLogP3.22
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide (CID 54521282) is N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide is NC(=NOCCCN1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is YQAIHTGRYGYMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-7-4-6-13(12-14)15(20)21-23-11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11H2,(H2,20,21).
What are the key properties of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 329.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 54521282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).