2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide

C17H29IN4 — CID 111085392

IUPAC2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCN1CCC(CC/N=C(\N)NCCc2ccccc2)CC1.I
InChIInChI=1S/C17H28N4.HI/c1-21-13-9-16(10-14-21)8-12-20-17(18)19-11-7-15-5-3-2-4-6-15;/h2-6,16H,7-14H2,1H3,(H3,18,19,20);1H
InChIKeyVNCRFCSFLWRGAQ-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide

2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111085392) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111085392
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCN1CCC(CC/N=C(\N)NCCc2ccccc2)CC1.I
InChIInChI=1S/C17H28N4.HI/c1-21-13-9-16(10-14-21)8-12-20-17(18)19-11-7-15-5-3-2-4-6-15;/h2-6,16H,7-14H2,1H3,(H3,18,19,20);1H
InChIKeyVNCRFCSFLWRGAQ-UHFFFAOYSA-N
XLogP2.48
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.48
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'}

Analyze 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111042356
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172193
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-phenylethyl)guanidine
CID 111059119
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
CID 111031798
1-(3-methylphenyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085378
2-benzyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 130158112
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide (CID 111085392) is 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide is CN1CCC(CC/N=C(\N)NCCc2ccccc2)CC1.I.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is VNCRFCSFLWRGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-21-13-9-16(10-14-21)8-12-20-17(18)19-11-7-15-5-3-2-4-6-15;/h2-6,16H,7-14H2,1H3,(H3,18,19,20);1H.
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111085392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).