N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide

C12H19IN4 — CID 111023397

IUPACN'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cccnc1)N1CCCCC1
InChIInChI=1S/C12H18N4.HI/c13-12(16-7-2-1-3-8-16)15-10-11-5-4-6-14-9-11;/h4-6,9H,1-3,7-8,10H2,(H2,13,15);1H
InChIKeyYHJZZJGTAQZAGY-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.00
Rot. Bonds2

About N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide

N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111023397) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111023397
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC NameN'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cccnc1)N1CCCCC1
InChIInChI=1S/C12H18N4.HI/c13-12(16-7-2-1-3-8-16)15-10-11-5-4-6-14-9-11;/h4-6,9H,1-3,7-8,10H2,(H2,13,15);1H
InChIKeyYHJZZJGTAQZAGY-UHFFFAOYSA-N
XLogP2.00
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.00
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

3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026746
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055652
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111093347
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide
CID 111070206
N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide
CID 122095761

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide (CID 111023397) is N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1cccnc1)N1CCCCC1.
What is the InChIKey of N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YHJZZJGTAQZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.HI/c13-12(16-7-2-1-3-8-16)15-10-11-5-4-6-14-9-11;/h4-6,9H,1-3,7-8,10H2,(H2,13,15);1H.
What are the key properties of N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 346.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111023397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).