2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C20H35IN6 — CID 111821079

IUPAC2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCN1CCC(C/N=C(\N)NCCc2ccccn2)(N2CCCCC2)CC1.I
InChIInChI=1S/C20H34N6.HI/c1-25-15-9-20(10-16-25,26-13-5-2-6-14-26)17-24-19(21)23-12-8-18-7-3-4-11-22-18;/h3-4,7,11H,2,5-6,8-10,12-17H2,1H3,(H3,21,23,24);1H
InChIKeyFNOGMRRQGMDVKS-UHFFFAOYSA-N
MW486.45 g/mol
LogP2.10
Rot. Bonds6

About 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111821079) has the molecular formula C20H35IN6 and a molecular weight of 486.45 g/mol. Its IUPAC name is 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111821079
Molecular FormulaC20H35IN6
Molecular Weight486.45 g/mol
Exact Mass486.20
IUPAC Name2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCN1CCC(C/N=C(\N)NCCc2ccccn2)(N2CCCCC2)CC1.I
InChIInChI=1S/C20H34N6.HI/c1-25-15-9-20(10-16-25,26-13-5-2-6-14-26)17-24-19(21)23-12-8-18-7-3-4-11-22-18;/h3-4,7,11H,2,5-6,8-10,12-17H2,1H3,(H3,21,23,24);1H
InChIKeyFNOGMRRQGMDVKS-UHFFFAOYSA-N
XLogP2.10
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111821080
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111497406
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111821057
2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111600960
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111828431
2-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111084836
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111580915
2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111557464
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111859747
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111821079) is 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CN1CCC(C/N=C(\N)NCCc2ccccn2)(N2CCCCC2)CC1.I.
What is the InChIKey of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is FNOGMRRQGMDVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6.HI/c1-25-15-9-20(10-16-25,26-13-5-2-6-14-26)17-24-19(21)23-12-8-18-7-3-4-11-22-18;/h3-4,7,11H,2,5-6,8-10,12-17H2,1H3,(H3,21,23,24);1H.
What are the key properties of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 486.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111821079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).