N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide

C11H21F3N4O — CID 104887068

IUPACN-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4O/c1-19-7-3-5-16-10(17-15)18-6-2-4-9(8-18)11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17)
InChIKeyDUIXJEMJYMLAPO-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.12
Rot. Bonds4

About N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887068) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887068
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC NameN-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4O/c1-19-7-3-5-16-10(17-15)18-6-2-4-9(8-18)11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17)
InChIKeyDUIXJEMJYMLAPO-UHFFFAOYSA-N
XLogP1.12
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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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Related Compounds

N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887063
N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887070
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-(2-methoxyethyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887072
N-amino-N'-(1-methoxypropan-2-yl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887093
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887095
N-amino-N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887096

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887068) is N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is COCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is DUIXJEMJYMLAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-19-7-3-5-16-10(17-15)18-6-2-4-9(8-18)11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 282.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).