N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

C17H26IN3O — CID 111816443

IUPACN'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1OC1CCC1)N1CCCCC1
InChIInChI=1S/C17H25N3O.HI/c18-17(20-11-4-1-5-12-20)19-13-14-7-2-3-10-16(14)21-15-8-6-9-15;/h2-3,7,10,15H,1,4-6,8-9,11-13H2,(H2,18,19);1H
InChIKeyQIICDUFWDPFCJQ-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.54
Rot. Bonds4

About N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111816443) has the molecular formula C17H26IN3O and a molecular weight of 415.32 g/mol. Its IUPAC name is N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111816443
Molecular FormulaC17H26IN3O
Molecular Weight415.32 g/mol
Exact Mass415.11
IUPAC NameN'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1OC1CCC1)N1CCCCC1
InChIInChI=1S/C17H25N3O.HI/c18-17(20-11-4-1-5-12-20)19-13-14-7-2-3-10-16(14)21-15-8-6-9-15;/h2-3,7,10,15H,1,4-6,8-9,11-13H2,(H2,18,19);1H
InChIKeyQIICDUFWDPFCJQ-UHFFFAOYSA-N
XLogP3.54
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.54
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-cyclobutyloxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119148017
2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide
CID 111428507
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179
N'-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111077066
N'-[(2-prop-2-enoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111810182
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084050
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110028825
N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110028826
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111816443) is N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccccc1OC1CCC1)N1CCCCC1.
What is the InChIKey of N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QIICDUFWDPFCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.HI/c18-17(20-11-4-1-5-12-20)19-13-14-7-2-3-10-16(14)21-15-8-6-9-15;/h2-3,7,10,15H,1,4-6,8-9,11-13H2,(H2,18,19);1H.
What are the key properties of N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111816443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).