3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide

C17H29IN4 — CID 111911277

IUPAC3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(c2cccnc2)C(C)C)C1.I
InChIInChI=1S/C17H28N4.HI/c1-13(2)16(15-7-4-8-19-10-15)11-20-17(18)21-9-5-6-14(3)12-21;/h4,7-8,10,13-14,16H,5-6,9,11-12H2,1-3H3,(H2,18,20);1H
InChIKeyCRZOQHRTFCVUDI-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111911277) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111911277
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(c2cccnc2)C(C)C)C1.I
InChIInChI=1S/C17H28N4.HI/c1-13(2)16(15-7-4-8-19-10-15)11-20-17(18)21-9-5-6-14(3)12-21;/h4,7-8,10,13-14,16H,5-6,9,11-12H2,1-3H3,(H2,18,20);1H
InChIKeyCRZOQHRTFCVUDI-UHFFFAOYSA-N
XLogP3.49
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.49
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'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
CID 111911290
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 110649410
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
1,1-diethyl-2-(3-methyl-2-pyridin-3-ylbutyl)guanidine;hydroiodide
CID 111911239
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide (CID 111911277) is 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC(c2cccnc2)C(C)C)C1.I.
What is the InChIKey of 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CRZOQHRTFCVUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-13(2)16(15-7-4-8-19-10-15)11-20-17(18)21-9-5-6-14(3)12-21;/h4,7-8,10,13-14,16H,5-6,9,11-12H2,1-3H3,(H2,18,20);1H.
What are the key properties of 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111911277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).