N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide

C17H26F2IN3O — CID 111500954

IUPACN'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(F)c(F)c1)N1CCC(O)CC1.I
InChIInChI=1S/C17H25F2N3O.HI/c1-3-20-17(22-8-6-14(23)7-9-22)21-11-12(2)13-4-5-15(18)16(19)10-13;/h4-5,10,12,14,23H,3,6-9,11H2,1-2H3,(H,20,21);1H
InChIKeyMEVSQJCHGZTYDE-UHFFFAOYSA-N
MW453.32 g/mol
LogP3.11
Rot. Bonds4

About N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide

N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 111500954) has the molecular formula C17H26F2IN3O and a molecular weight of 453.32 g/mol. Its IUPAC name is N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
PubChem CID111500954
Molecular FormulaC17H26F2IN3O
Molecular Weight453.32 g/mol
Exact Mass453.11
IUPAC NameN'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(F)c(F)c1)N1CCC(O)CC1.I
InChIInChI=1S/C17H25F2N3O.HI/c1-3-20-17(22-8-6-14(23)7-9-22)21-11-12(2)13-4-5-15(18)16(19)10-13;/h4-5,10,12,14,23H,3,6-9,11H2,1-2H3,(H,20,21);1H
InChIKeyMEVSQJCHGZTYDE-UHFFFAOYSA-N
XLogP3.11
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111500434
2-[4-[N'-[2-(3,4-difluorophenyl)propyl]-N-ethylcarbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111501656
1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111495571
2-[2-(3,4-difluorophenyl)propyl]-1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 75424225
ethyl 1-[N-[2-(3,4-difluorophenyl)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111500120
N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111770709
(3R)-N-ethyl-3-hydroxy-N'-(3-phenylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111551447
N-[2-(3,4-difluorophenyl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428018
(3R)-N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551390
N-ethyl-3-(methoxymethyl)-N'-(2-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735704
N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 111327066
N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956499

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide (CID 111500954) is N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)c1ccc(F)c(F)c1)N1CCC(O)CC1.I.
What is the InChIKey of N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is MEVSQJCHGZTYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O.HI/c1-3-20-17(22-8-6-14(23)7-9-22)21-11-12(2)13-4-5-15(18)16(19)10-13;/h4-5,10,12,14,23H,3,6-9,11H2,1-2H3,(H,20,21);1H.
What are the key properties of N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 453.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111500954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).