N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide

C19H34F3N3O2 — CID 109447481

IUPACN-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C19H34F3N3O2/c1-2-23-18(24-11-5-4-10-19(20,21)22)25-12-8-16(9-13-25)27-15-17-7-3-6-14-26-17/h16-17H,2-15H2,1H3,(H,23,24)
InChIKeyUBLPUDWCDKLABV-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.73
Rot. Bonds8

About N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide

N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide (PubChem CID 109447481) has the molecular formula C19H34F3N3O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
PubChem CID109447481
Molecular FormulaC19H34F3N3O2
Molecular Weight393.49 g/mol
Exact Mass393.26
IUPAC NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C19H34F3N3O2/c1-2-23-18(24-11-5-4-10-19(20,21)22)25-12-8-16(9-13-25)27-15-17-7-3-6-14-26-17/h16-17H,2-15H2,1H3,(H,23,24)
InChIKeyUBLPUDWCDKLABV-UHFFFAOYSA-N
XLogP3.73
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.73
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'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N'-[4-(diethylamino)butyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449991
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-N'-(4-methylsulfanylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448496
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448546
N-ethyl-N'-(3-methylsulfanylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447554
N'-[3-(dipropylamino)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449459
N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448571
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[4-(1,2,4-triazol-4-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 109449868
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447112
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450349
N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]acetamide
CID 109447633

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide (CID 109447481) is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide is CCN/C(=N\CCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide?
The InChIKey is UBLPUDWCDKLABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N3O2/c1-2-23-18(24-11-5-4-10-19(20,21)22)25-12-8-16(9-13-25)27-15-17-7-3-6-14-26-17/h16-17H,2-15H2,1H3,(H,23,24).
What are the key properties of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide?
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide has a molecular weight of 393.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109447481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).