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

C18H29IN4O — CID 110919958

IUPACN'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2ccnc(OC3CCCC3)c2)CC1.I
InChIInChI=1S/C18H28N4O.HI/c1-14-7-10-22(11-8-14)18(19)21-13-15-6-9-20-17(12-15)23-16-4-2-3-5-16;/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H2,19,21);1H
InChIKeyOAFULVHINGLYEU-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.57
Rot. Bonds4

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

N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110919958) has the molecular formula C18H29IN4O and a molecular weight of 444.36 g/mol. Its IUPAC name is N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110919958
Molecular FormulaC18H29IN4O
Molecular Weight444.36 g/mol
Exact Mass444.14
IUPAC NameN'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2ccnc(OC3CCCC3)c2)CC1.I
InChIInChI=1S/C18H28N4O.HI/c1-14-7-10-22(11-8-14)18(19)21-13-15-6-9-20-17(12-15)23-16-4-2-3-5-16;/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H2,19,21);1H
InChIKeyOAFULVHINGLYEU-UHFFFAOYSA-N
XLogP3.57
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
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'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111049994
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
CID 111049940
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
1,3-diethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine
CID 111179278
1-cyclopentyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110989668
1-(3,4-dimethoxyphenyl)-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111808125
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110919958) is N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/Cc2ccnc(OC3CCCC3)c2)CC1.I.
What is the InChIKey of N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is OAFULVHINGLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.HI/c1-14-7-10-22(11-8-14)18(19)21-13-15-6-9-20-17(12-15)23-16-4-2-3-5-16;/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H2,19,21);1H.
What are the key properties of N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 444.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110919958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).