N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C18H37IN4 — CID 110920087

IUPACN'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCCN2CC(C)CC(C)C2)CC1.I
InChIInChI=1S/C18H36N4.HI/c1-15-6-10-22(11-7-15)18(19)20-8-4-5-9-21-13-16(2)12-17(3)14-21;/h15-17H,4-14H2,1-3H3,(H2,19,20);1H
InChIKeyWDFMCARQTRCVNT-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.41
Rot. Bonds5

About N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110920087) has the molecular formula C18H37IN4 and a molecular weight of 436.43 g/mol. Its IUPAC name is N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110920087
Molecular FormulaC18H37IN4
Molecular Weight436.43 g/mol
Exact Mass436.21
IUPAC NameN'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCCN2CC(C)CC(C)C2)CC1.I
InChIInChI=1S/C18H36N4.HI/c1-15-6-10-22(11-7-15)18(19)20-8-4-5-9-21-13-16(2)12-17(3)14-21;/h15-17H,4-14H2,1-3H3,(H2,19,20);1H
InChIKeyWDFMCARQTRCVNT-UHFFFAOYSA-N
XLogP3.41
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
1-cyclopropyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-methylguanidine
CID 110030113
1-tert-butyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060450

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110920087) is N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCCCN2CC(C)CC(C)C2)CC1.I.
What is the InChIKey of N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WDFMCARQTRCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4.HI/c1-15-6-10-22(11-7-15)18(19)20-8-4-5-9-21-13-16(2)12-17(3)14-21;/h15-17H,4-14H2,1-3H3,(H2,19,20);1H.
What are the key properties of N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 436.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).