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

C14H26F3N3O — CID 111144148

IUPACN-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCOCC(F)(F)F)N1CCCC(C)C1
InChIInChI=1S/C14H26F3N3O/c1-3-18-13(20-8-4-6-12(2)10-20)19-7-5-9-21-11-14(15,16)17/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeySHYPZGWRLSIBMT-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.65
Rot. Bonds6

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

N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 111144148) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
PubChem CID111144148
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCOCC(F)(F)F)N1CCCC(C)C1
InChIInChI=1S/C14H26F3N3O/c1-3-18-13(20-8-4-6-12(2)10-20)19-7-5-9-21-11-14(15,16)17/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeySHYPZGWRLSIBMT-UHFFFAOYSA-N
XLogP2.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (CID 111144148) is N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is CCN/C(=N\CCCOCC(F)(F)F)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is SHYPZGWRLSIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-3-18-13(20-8-4-6-12(2)10-20)19-7-5-9-21-11-14(15,16)17/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 309.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111144148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).