N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide

C13H18Cl2N4O — CID 75426956

IUPACN'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H18Cl2N4O/c14-10-8-11(15)12(18-9-10)20-7-4-17-13(16)19-5-2-1-3-6-19/h8-9H,1-7H2,(H2,16,17)
InChIKeyGJRLJJDPSWTMHD-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.57
Rot. Bonds4

About N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide

N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide (PubChem CID 75426956) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide
PubChem CID75426956
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC NameN'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H18Cl2N4O/c14-10-8-11(15)12(18-9-10)20-7-4-17-13(16)19-5-2-1-3-6-19/h8-9H,1-7H2,(H2,16,17)
InChIKeyGJRLJJDPSWTMHD-UHFFFAOYSA-N
XLogP2.57
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.57
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'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 86779305
1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide
CID 110031647
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[(5-chloro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 99851350
N'-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111819447
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 111063564
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
CID 111072067
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide (CID 75426956) is N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide is N/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide?
The InChIKey is GJRLJJDPSWTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c14-10-8-11(15)12(18-9-10)20-7-4-17-13(16)19-5-2-1-3-6-19/h8-9H,1-7H2,(H2,16,17).
What are the key properties of N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide?
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide has a molecular weight of 317.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 75426956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).