N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C16H24Cl2IN3O2 — CID 110921016

IUPACN'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(O)COc2cccc(Cl)c2Cl)CC1.I
InChIInChI=1S/C16H23Cl2N3O2.HI/c1-11-5-7-21(8-6-11)16(19)20-9-12(22)10-23-14-4-2-3-13(17)15(14)18;/h2-4,11-12,22H,5-10H2,1H3,(H2,19,20);1H
InChIKeyLWHGERFBTDWHNW-UHFFFAOYSA-N
MW488.20 g/mol
LogP3.40
Rot. Bonds5

About N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110921016) has the molecular formula C16H24Cl2IN3O2 and a molecular weight of 488.20 g/mol. Its IUPAC name is N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110921016
Molecular FormulaC16H24Cl2IN3O2
Molecular Weight488.20 g/mol
Exact Mass487.03
IUPAC NameN'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(O)COc2cccc(Cl)c2Cl)CC1.I
InChIInChI=1S/C16H23Cl2N3O2.HI/c1-11-5-7-21(8-6-11)16(19)20-9-12(22)10-23-14-4-2-3-13(17)15(14)18;/h2-4,11-12,22H,5-10H2,1H3,(H2,19,20);1H
InChIKeyLWHGERFBTDWHNW-UHFFFAOYSA-N
XLogP3.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.20
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111082774
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide
CID 110920781
2-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 111082740
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111082489
N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide
CID 111465910
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110921016) is N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC(O)COc2cccc(Cl)c2Cl)CC1.I.
What is the InChIKey of N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is LWHGERFBTDWHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2.HI/c1-11-5-7-21(8-6-11)16(19)20-9-12(22)10-23-14-4-2-3-13(17)15(14)18;/h2-4,11-12,22H,5-10H2,1H3,(H2,19,20);1H.
What are the key properties of N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 488.20 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110921016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).