1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C12H25IN4 — CID 111086810

IUPAC1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCN(C)CC1.I
InChIInChI=1S/C12H24N4.HI/c1-10(2)8-14-12(13)15-9-11-4-6-16(3)7-5-11;/h11H,1,4-9H2,2-3H3,(H3,13,14,15);1H
InChIKeyDKBSOGHPPOFOOT-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.43
Rot. Bonds4

About 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111086810) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111086810
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCN(C)CC1.I
InChIInChI=1S/C12H24N4.HI/c1-10(2)8-14-12(13)15-9-11-4-6-16(3)7-5-11;/h11H,1,4-9H2,2-3H3,(H3,13,14,15);1H
InChIKeyDKBSOGHPPOFOOT-UHFFFAOYSA-N
XLogP1.43
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
tert-butyl 3-[[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]methyl]pyrrolidine-1-carboxylate
CID 110032352
1-[(2,6-dimethyloxan-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 120679848
tert-butyl 3-[[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111083006
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 111807644
1-[2-(azepan-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057045
2-(2-methylprop-2-enyl)-1-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
CID 120973075
1-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 111094832
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057483
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
tert-butyl 2-[[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111085931

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111086810) is 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCC1CCN(C)CC1.I.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is DKBSOGHPPOFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c1-10(2)8-14-12(13)15-9-11-4-6-16(3)7-5-11;/h11H,1,4-9H2,2-3H3,(H3,13,14,15);1H.
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111086810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).