4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

C16H33IN4 — CID 110920030

IUPAC4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)N2CCCC(C)C2)CC1.I
InChIInChI=1S/C16H32N4.HI/c1-13-6-9-19(10-7-13)16(17)18-11-15(3)20-8-4-5-14(2)12-20;/h13-15H,4-12H2,1-3H3,(H2,17,18);1H
InChIKeyMFNJEJFXJSHSNP-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.77
Rot. Bonds3

About 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110920030) has the molecular formula C16H33IN4 and a molecular weight of 408.37 g/mol. Its IUPAC name is 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110920030
Molecular FormulaC16H33IN4
Molecular Weight408.37 g/mol
Exact Mass408.17
IUPAC Name4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)N2CCCC(C)C2)CC1.I
InChIInChI=1S/C16H32N4.HI/c1-13-6-9-19(10-7-13)16(17)18-11-15(3)20-8-4-5-14(2)12-20;/h13-15H,4-12H2,1-3H3,(H2,17,18);1H
InChIKeyMFNJEJFXJSHSNP-UHFFFAOYSA-N
XLogP2.77
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.77
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-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111056636
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110927363
1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 110920030) is 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC(C)N2CCCC(C)C2)CC1.I.
What is the InChIKey of 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MFNJEJFXJSHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4.HI/c1-13-6-9-19(10-7-13)16(17)18-11-15(3)20-8-4-5-14(2)12-20;/h13-15H,4-12H2,1-3H3,(H2,17,18);1H.
What are the key properties of 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 408.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).