N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C16H29F2N3O2 — CID 109448043

IUPACN'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(F)F)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C16H29F2N3O2/c1-2-19-16(20-11-15(17)18)21-8-6-13(7-9-21)23-12-14-5-3-4-10-22-14/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyZEIGNVOEQZJRTM-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.27
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109448043) has the molecular formula C16H29F2N3O2 and a molecular weight of 333.42 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109448043
Molecular FormulaC16H29F2N3O2
Molecular Weight333.42 g/mol
Exact Mass333.22
IUPAC NameN'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(F)F)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C16H29F2N3O2/c1-2-19-16(20-11-15(17)18)21-8-6-13(7-9-21)23-12-14-5-3-4-10-22-14/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyZEIGNVOEQZJRTM-UHFFFAOYSA-N
XLogP2.27
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoropropyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446643
N'-methyl-4-(oxan-2-ylmethoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109446898
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-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447072
N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447073
N'-ethyl-4-(oxan-2-ylmethoxy)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide
CID 109447128
N'-ethyl-4-(oxan-2-ylmethoxy)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 109447129
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109447190
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 109447191
N'-methyl-4-(oxan-2-ylmethoxy)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447370

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109448043) is N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is CCN/C(=N\CC(F)F)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is ZEIGNVOEQZJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3O2/c1-2-19-16(20-11-15(17)18)21-8-6-13(7-9-21)23-12-14-5-3-4-10-22-14/h13-15H,2-12H2,1H3,(H,19,20).
What are the key properties of N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 333.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109448043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).