1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

C17H30IN5 — CID 110968219

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CC(C)CC(C)C1)NCc1ccccn1.I
InChIInChI=1S/C17H29N5.HI/c1-14-10-15(2)13-22(12-14)9-8-20-17(18-3)21-11-16-6-4-5-7-19-16;/h4-7,14-15H,8-13H2,1-3H3,(H2,18,20,21);1H
InChIKeyRORDPKSAAJIQCW-UHFFFAOYSA-N
MW431.37 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110968219) has the molecular formula C17H30IN5 and a molecular weight of 431.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID110968219
Molecular FormulaC17H30IN5
Molecular Weight431.37 g/mol
Exact Mass431.15
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CC(C)CC(C)C1)NCc1ccccn1.I
InChIInChI=1S/C17H29N5.HI/c1-14-10-15(2)13-22(12-14)9-8-20-17(18-3)21-11-16-6-4-5-7-19-16;/h4-7,14-15H,8-13H2,1-3H3,(H2,18,20,21);1H
InChIKeyRORDPKSAAJIQCW-UHFFFAOYSA-N
XLogP2.34
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.34
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-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967730
2-methyl-1-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110967468
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111899132
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967679
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111899133
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111567073
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494235
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111593963
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971292
1-(2-tert-butylsulfonylethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111573862
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192230
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 110968219) is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is C/N=C(/NCCN1CC(C)CC(C)C1)NCc1ccccn1.I.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is RORDPKSAAJIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5.HI/c1-14-10-15(2)13-22(12-14)9-8-20-17(18-3)21-11-16-6-4-5-7-19-16;/h4-7,14-15H,8-13H2,1-3H3,(H2,18,20,21);1H.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 431.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110968219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).