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

C20H34N6 — CID 111821080

IUPAC2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCN1CCC(C/N=C(\N)NCCc2ccccn2)(N2CCCCC2)CC1
InChIInChI=1S/C20H34N6/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)
InChIKeyJJXPHWUIOBXYQM-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.48
Rot. Bonds6

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

2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111821080) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111821080
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Name2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCN1CCC(C/N=C(\N)NCCc2ccccn2)(N2CCCCC2)CC1
InChIInChI=1S/C20H34N6/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)
InChIKeyJJXPHWUIOBXYQM-UHFFFAOYSA-N
XLogP1.48
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.48
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'}

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Related Compounds

2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111821079
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
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111828431
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
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-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111084836
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397

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?
The IUPAC name of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111821080) is 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is CN1CCC(C/N=C(\N)NCCc2ccccn2)(N2CCCCC2)CC1.
What is the InChIKey of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is JJXPHWUIOBXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6/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).
What are the key properties of 2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 358.53 g/mol, XLogP of 1.48, 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 is sourced from PubChem (CID 111821080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).