N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide

C11H21F3N4O — CID 104887063

IUPACN-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4O/c1-8(7-19-2)16-10(17-15)18-5-3-4-9(6-18)11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyXBUAONDTRFXXJY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.11
Rot. Bonds3

About N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887063) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887063
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC NameN-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4O/c1-8(7-19-2)16-10(17-15)18-5-3-4-9(6-18)11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyXBUAONDTRFXXJY-UHFFFAOYSA-N
XLogP1.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887070
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'-(3-methoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887098
N-amino-N'-(2-methoxyethyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887102
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504877
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 104883187
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 104883195
N-amino-N'-(1-methoxypropan-2-yl)-3,5-dimethylpiperidine-1-carboximidamide
CID 104883205

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887063) is N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide is COCC(C)/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is XBUAONDTRFXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-8(7-19-2)16-10(17-15)18-5-3-4-9(6-18)11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 282.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).