N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C17H28IN3O — CID 111821179

IUPACN'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)(C)Oc1ccccc1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C17H27N3O.HI/c1-17(2,3)21-15-10-6-5-9-14(15)13-19-16(18)20-11-7-4-8-12-20;/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H2,18,19);1H
InChIKeyFIICFLWLOWGASU-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.78
Rot. Bonds3

About N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111821179) has the molecular formula C17H28IN3O and a molecular weight of 417.34 g/mol. Its IUPAC name is N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111821179
Molecular FormulaC17H28IN3O
Molecular Weight417.34 g/mol
Exact Mass417.13
IUPAC NameN'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)(C)Oc1ccccc1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C17H27N3O.HI/c1-17(2,3)21-15-10-6-5-9-14(15)13-19-16(18)20-11-7-4-8-12-20;/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H2,18,19);1H
InChIKeyFIICFLWLOWGASU-UHFFFAOYSA-N
XLogP3.78
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111077066
N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111816443
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084050
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111465822
N'-[(2-prop-2-enoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111810182
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
tert-butyl 4-[N'-[(2-methoxyphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111025233
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
tert-butyl 4-[N'-[(2-ethoxyphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111044316
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111084139
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111821179) is N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is CC(C)(C)Oc1ccccc1C/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is FIICFLWLOWGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.HI/c1-17(2,3)21-15-10-6-5-9-14(15)13-19-16(18)20-11-7-4-8-12-20;/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H2,18,19);1H.
What are the key properties of N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111821179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).