5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3O — CID 102958460

IUPAC5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC(OC)C2)ccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-21-10-3-2-6-20(8-10)9-4-5-12(14(15,16)17)11(7-9)13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H3,18,19)
InChIKeyPDHCDLKLKKLAGX-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.60
Rot. Bonds3

About 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 102958460) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID102958460
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC(OC)C2)ccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-21-10-3-2-6-20(8-10)9-4-5-12(14(15,16)17)11(7-9)13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H3,18,19)
InChIKeyPDHCDLKLKKLAGX-UHFFFAOYSA-N
XLogP2.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.60
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'}

Analyze 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43584574
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
4-(4-methylazepan-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 63624277
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 102958460) is 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(N2CCCC(OC)C2)ccc1C(F)(F)F.
What is the InChIKey of 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is PDHCDLKLKKLAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-21-10-3-2-6-20(8-10)9-4-5-12(14(15,16)17)11(7-9)13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H3,18,19).
What are the key properties of 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 301.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 102958460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).