N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide

C15H29F3N4 — CID 111211035

IUPACN-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCN(C)CC(F)(F)F)N1CCC(C)CC1
InChIInChI=1S/C15H29F3N4/c1-4-19-14(22-10-6-13(2)7-11-22)20-8-5-9-21(3)12-15(16,17)18/h13H,4-12H2,1-3H3,(H,19,20)
InChIKeyGFLPWEVBUGMCTM-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.57
Rot. Bonds6

About N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide (PubChem CID 111211035) has the molecular formula C15H29F3N4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide
PubChem CID111211035
Molecular FormulaC15H29F3N4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCN(C)CC(F)(F)F)N1CCC(C)CC1
InChIInChI=1S/C15H29F3N4/c1-4-19-14(22-10-6-13(2)7-11-22)20-8-5-9-21(3)12-15(16,17)18/h13H,4-12H2,1-3H3,(H,19,20)
InChIKeyGFLPWEVBUGMCTM-UHFFFAOYSA-N
XLogP2.57
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539038
N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536343
N'-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536533
N'-tert-butyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536728
N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538272
N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538460
N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539039
N'-(2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539230
N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 83035532
4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 91659422
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide (CID 111211035) is N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide is CCN/C(=N\CCCN(C)CC(F)(F)F)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide?
The InChIKey is GFLPWEVBUGMCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N4/c1-4-19-14(22-10-6-13(2)7-11-22)20-8-5-9-21(3)12-15(16,17)18/h13H,4-12H2,1-3H3,(H,19,20).
What are the key properties of N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide has a molecular weight of 322.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111211035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).