1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide

C18H31IN4S — CID 111084324

IUPAC1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCN(Cc2cccs2)C1)NC1CCCCC1
InChIInChI=1S/C18H30N4S.HI/c19-18(21-16-7-2-1-3-8-16)20-12-15-6-4-10-22(13-15)14-17-9-5-11-23-17;/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H3,19,20,21);1H
InChIKeyGJHFHEBDPZRBFC-UHFFFAOYSA-N
MW462.45 g/mol
LogP3.82
Rot. Bonds5

About 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide (PubChem CID 111084324) has the molecular formula C18H31IN4S and a molecular weight of 462.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
PubChem CID111084324
Molecular FormulaC18H31IN4S
Molecular Weight462.45 g/mol
Exact Mass462.13
IUPAC Name1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCN(Cc2cccs2)C1)NC1CCCCC1
InChIInChI=1S/C18H30N4S.HI/c19-18(21-16-7-2-1-3-8-16)20-12-15-6-4-10-22(13-15)14-17-9-5-11-23-17;/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H3,19,20,21);1H
InChIKeyGJHFHEBDPZRBFC-UHFFFAOYSA-N
XLogP3.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111084415
1-propan-2-yl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084344
1-(2-thiophen-2-ylethyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084350
N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 75534650
1-cyclopropyl-1-methyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 110030642
1-cyclohexyl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 110957380
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 111721479
N-ethyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955429
1-ethyl-3-propan-2-yl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111124522
4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide
CID 111084395
1-ethyl-3-(3-methylbutan-2-yl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 111000857
tert-butyl 4-[N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111084378

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide (CID 111084324) is 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide is I.N/C(=N\CC1CCCN(Cc2cccs2)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide?
The InChIKey is GJHFHEBDPZRBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S.HI/c19-18(21-16-7-2-1-3-8-16)20-12-15-6-4-10-22(13-15)14-17-9-5-11-23-17;/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H3,19,20,21);1H.
What are the key properties of 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide has a molecular weight of 462.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111084324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).