N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide

C14H22IN3S — CID 111211649

IUPACN-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCc1ccc(I)s1)N1CCC(C)CC1
InChIInChI=1S/C14H22IN3S/c1-11-6-9-18(10-7-11)14(16-2)17-8-5-12-3-4-13(15)19-12/h3-4,11H,5-10H2,1-2H3,(H,16,17)
InChIKeyGQADJVPYUJGGOI-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.20
Rot. Bonds3

About N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111211649) has the molecular formula C14H22IN3S and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111211649
Molecular FormulaC14H22IN3S
Molecular Weight391.32 g/mol
Exact Mass391.06
IUPAC NameN-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCc1ccc(I)s1)N1CCC(C)CC1
InChIInChI=1S/C14H22IN3S/c1-11-6-9-18(10-7-11)14(16-2)17-8-5-12-3-4-13(15)19-12/h3-4,11H,5-10H2,1-2H3,(H,16,17)
InChIKeyGQADJVPYUJGGOI-UHFFFAOYSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.20
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

4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310
ethyl 1-[N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157975
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211375
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine
CID 110992087
N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111211399
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212040
N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212120
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 109391757
N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111211183
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111211649) is N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide is C/N=C(\NCCc1ccc(I)s1)N1CCC(C)CC1.
What is the InChIKey of N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is GQADJVPYUJGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3S/c1-11-6-9-18(10-7-11)14(16-2)17-8-5-12-3-4-13(15)19-12/h3-4,11H,5-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 391.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111211649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).