N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C16H27IN4O2 — CID 110920081

IUPACN'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOCCOc1ncccc1C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C16H26N4O2.HI/c1-13-5-8-20(9-6-13)16(17)19-12-14-4-3-7-18-15(14)22-11-10-21-2;/h3-4,7,13H,5-6,8-12H2,1-2H3,(H2,17,19);1H
InChIKeyBWLUSZMMDRLPEW-UHFFFAOYSA-N
MW434.32 g/mol
LogP2.27
Rot. Bonds6

About N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110920081) has the molecular formula C16H27IN4O2 and a molecular weight of 434.32 g/mol. Its IUPAC name is N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110920081
Molecular FormulaC16H27IN4O2
Molecular Weight434.32 g/mol
Exact Mass434.12
IUPAC NameN'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOCCOc1ncccc1C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C16H26N4O2.HI/c1-13-5-8-20(9-6-13)16(17)19-12-14-4-3-7-18-15(14)22-11-10-21-2;/h3-4,7,13H,5-6,8-12H2,1-2H3,(H2,17,19);1H
InChIKeyBWLUSZMMDRLPEW-UHFFFAOYSA-N
XLogP2.27
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 52.27
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

1-cyclopropyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030126
N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111144450
N'-[(2-methoxy-3-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118449
methyl 1-[N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254680
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methylcyclohexyl)guanidine
CID 111256837
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
tert-butyl 4-[N'-[(2-ethoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111050757
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
1-cyclopropyl-3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110988171
2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111061006
N'-[(2-methoxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111050682

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110920081) is N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is COCCOc1ncccc1C/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BWLUSZMMDRLPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.HI/c1-13-5-8-20(9-6-13)16(17)19-12-14-4-3-7-18-15(14)22-11-10-21-2;/h3-4,7,13H,5-6,8-12H2,1-2H3,(H2,17,19);1H.
What are the key properties of N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 434.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).