N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3O — CID 43138687

IUPACN'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCC1CCCCN1c1ccc(/C(N)=N/O)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O/c1-9-4-2-3-7-20(9)10-5-6-11(13(18)19-21)12(8-10)14(15,16)17/h5-6,8-9,21H,2-4,7H2,1H3,(H2,18,19)
InChIKeyPESYQTFRSOUWCK-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.18
Rot. Bonds2

About N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43138687) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43138687
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCC1CCCCN1c1ccc(/C(N)=N/O)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O/c1-9-4-2-3-7-20(9)10-5-6-11(13(18)19-21)12(8-10)14(15,16)17/h5-6,8-9,21H,2-4,7H2,1H3,(H2,18,19)
InChIKeyPESYQTFRSOUWCK-UHFFFAOYSA-N
XLogP3.18
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43138687) is N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is CC1CCCCN1c1ccc(/C(N)=N/O)c(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is PESYQTFRSOUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-4-2-3-7-20(9)10-5-6-11(13(18)19-21)12(8-10)14(15,16)17/h5-6,8-9,21H,2-4,7H2,1H3,(H2,18,19).
What are the key properties of N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 301.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43138687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).