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

C15H24IN3O — CID 111053986

IUPACN'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOCc1ccccc1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C15H23N3O.HI/c1-19-12-14-8-4-3-7-13(14)11-17-15(16)18-9-5-2-6-10-18;/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17);1H
InChIKeyLZSPRTXAYNCWDA-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.75
Rot. Bonds4

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

N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111053986) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111053986
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC NameN'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOCc1ccccc1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C15H23N3O.HI/c1-19-12-14-8-4-3-7-13(14)11-17-15(16)18-9-5-2-6-10-18;/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17);1H
InChIKeyLZSPRTXAYNCWDA-UHFFFAOYSA-N
XLogP2.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.75
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-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179
N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111816443
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-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084050
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
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'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111053986) is N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is COCc1ccccc1C/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is LZSPRTXAYNCWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-19-12-14-8-4-3-7-13(14)11-17-15(16)18-9-5-2-6-10-18;/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111053986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).