4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3 — CID 43138676

IUPAC4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3/c1-9-3-2-6-20(8-9)10-4-5-11(13(18)19)12(7-10)14(15,16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H3,18,19)
InChIKeyUBCGJKUPAVRNHB-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.23
Rot. Bonds2

About 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43138676) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43138676
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3/c1-9-3-2-6-20(8-9)10-4-5-11(13(18)19)12(7-10)14(15,16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H3,18,19)
InChIKeyUBCGJKUPAVRNHB-UHFFFAOYSA-N
XLogP3.23
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.23
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 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43138676) is 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCC(C)C2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is UBCGJKUPAVRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-9-3-2-6-20(8-9)10-4-5-11(13(18)19)12(7-10)14(15,16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H3,18,19).
What are the key properties of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 285.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43138676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).