N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide

C23H35F3N4O — CID 109427207

IUPACN-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C23H35F3N4O/c1-2-27-22(28-13-8-19-9-14-29(15-10-19)18-23(24,25)26)30-16-11-21(12-17-30)31-20-6-4-3-5-7-20/h3-7,19,21H,2,8-18H2,1H3,(H,27,28)
InChIKeyHDSRXWLZILSUML-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.16
Rot. Bonds7

About N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide

N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide (PubChem CID 109427207) has the molecular formula C23H35F3N4O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
PubChem CID109427207
Molecular FormulaC23H35F3N4O
Molecular Weight440.55 g/mol
Exact Mass440.28
IUPAC NameN-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C23H35F3N4O/c1-2-27-22(28-13-8-19-9-14-29(15-10-19)18-23(24,25)26)30-16-11-21(12-17-30)31-20-6-4-3-5-7-20/h3-7,19,21H,2,8-18H2,1H3,(H,27,28)
InChIKeyHDSRXWLZILSUML-UHFFFAOYSA-N
XLogP4.16
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.16
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'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N-ethyl-4-phenoxy-N'-[(1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426627
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 109426946
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide (CID 109427207) is N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide is CCN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
The InChIKey is HDSRXWLZILSUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F3N4O/c1-2-27-22(28-13-8-19-9-14-29(15-10-19)18-23(24,25)26)30-16-11-21(12-17-30)31-20-6-4-3-5-7-20/h3-7,19,21H,2,8-18H2,1H3,(H,27,28).
What are the key properties of N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide?
N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide has a molecular weight of 440.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenoxy-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109427207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).