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

C14H26F3N3O2 — CID 111960179

IUPAC4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O2/c1-3-22-12-5-8-20(9-6-12)13(18-2)19-7-4-10-21-11-14(15,16)17/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyLBMVEZZDMYMKKV-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.03
Rot. Bonds7

About 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 111960179) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
PubChem CID111960179
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC Name4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O2/c1-3-22-12-5-8-20(9-6-12)13(18-2)19-7-4-10-21-11-14(15,16)17/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyLBMVEZZDMYMKKV-UHFFFAOYSA-N
XLogP2.03
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(cyclopropylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 75512654
4-ethoxy-N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 86778664
4-ethoxy-N'-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 96998575
4-ethoxy-N'-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 96998576
N'-methyl-N-(3-propan-2-yloxypropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377145
N'-methyl-4-(oxan-2-ylmethoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 109446899
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109446990
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 109446991
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
CID 109447481
N'-methyl-4-(oxan-2-ylmethoxy)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447788
N'-methyl-4-(oxan-2-ylmethoxy)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 109447789
N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448043

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (CID 111960179) is 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is LBMVEZZDMYMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O2/c1-3-22-12-5-8-20(9-6-12)13(18-2)19-7-4-10-21-11-14(15,16)17/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 325.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111960179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).