N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide

C13H22IN3S — CID 111758200

IUPACN'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCCCC1)c1ccsc1.I
InChIInChI=1S/C13H21N3S.HI/c1-11(12-5-8-17-10-12)9-15-13(14)16-6-3-2-4-7-16;/h5,8,10-11H,2-4,6-7,9H2,1H3,(H2,14,15);1H
InChIKeyFPBAWBLZQAYAMM-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.27
Rot. Bonds3

About N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide

N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111758200) has the molecular formula C13H22IN3S and a molecular weight of 379.31 g/mol. Its IUPAC name is N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111758200
Molecular FormulaC13H22IN3S
Molecular Weight379.31 g/mol
Exact Mass379.06
IUPAC NameN'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCCCC1)c1ccsc1.I
InChIInChI=1S/C13H21N3S.HI/c1-11(12-5-8-17-10-12)9-15-13(14)16-6-3-2-4-7-16;/h5,8,10-11H,2-4,6-7,9H2,1H3,(H2,14,15);1H
InChIKeyFPBAWBLZQAYAMM-UHFFFAOYSA-N
XLogP3.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.27
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-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111770709
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide
CID 111823981
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 136530651
1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758198
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704359

Frequently Asked Questions

What is the IUPAC name of N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111758200) is N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide is CC(C/N=C(\N)N1CCCCC1)c1ccsc1.I.
What is the InChIKey of N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is FPBAWBLZQAYAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S.HI/c1-11(12-5-8-17-10-12)9-15-13(14)16-6-3-2-4-7-16;/h5,8,10-11H,2-4,6-7,9H2,1H3,(H2,14,15);1H.
What are the key properties of N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 379.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111758200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).