N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C20H26ClIN4O2 — CID 109425821

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOc1ncccc1Cl)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C20H25ClN4O2.HI/c1-22-20(24-12-15-26-19-18(21)8-5-11-23-19)25-13-9-17(10-14-25)27-16-6-3-2-4-7-16;/h2-8,11,17H,9-10,12-15H2,1H3,(H,22,24);1H
InChIKeyDCUKYHPOQZWVAA-UHFFFAOYSA-N
MW516.81 g/mol
LogP3.85
Rot. Bonds6

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109425821) has the molecular formula C20H26ClIN4O2 and a molecular weight of 516.81 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109425821
Molecular FormulaC20H26ClIN4O2
Molecular Weight516.81 g/mol
Exact Mass516.08
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOc1ncccc1Cl)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C20H25ClN4O2.HI/c1-22-20(24-12-15-26-19-18(21)8-5-11-23-19)25-13-9-17(10-14-25)27-16-6-3-2-4-7-16;/h2-8,11,17H,9-10,12-15H2,1H3,(H,22,24);1H
InChIKeyDCUKYHPOQZWVAA-UHFFFAOYSA-N
XLogP3.85
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
CID 109428079
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426731
N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide
CID 109427995
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N'-methyl-4-phenoxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427182
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426732
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427806
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-[2-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 109427802
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109425821) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCOc1ncccc1Cl)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is DCUKYHPOQZWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2.HI/c1-22-20(24-12-15-26-19-18(21)8-5-11-23-19)25-13-9-17(10-14-25)27-16-6-3-2-4-7-16;/h2-8,11,17H,9-10,12-15H2,1H3,(H,22,24);1H.
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 516.81 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109425821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).