2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide

C18H31IN4 — CID 111028789

IUPAC2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCC(C)(C/N=C(\N)NCCc1ccccc1)N1CCCCC1.I
InChIInChI=1S/C18H30N4.HI/c1-18(2,22-13-7-4-8-14-22)15-21-17(19)20-12-11-16-9-5-3-6-10-16;/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H3,19,20,21);1H
InChIKeyWQHHHCSSDIWXRG-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide

2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111028789) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111028789
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCC(C)(C/N=C(\N)NCCc1ccccc1)N1CCCCC1.I
InChIInChI=1S/C18H30N4.HI/c1-18(2,22-13-7-4-8-14-22)15-21-17(19)20-12-11-16-9-5-3-6-10-16;/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H3,19,20,21);1H
InChIKeyWQHHHCSSDIWXRG-UHFFFAOYSA-N
XLogP3.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.02
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'}

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Related Compounds

2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111080170
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111085392
2-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111320737
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
CID 111031798
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111039232
2-(2-tert-butylsulfinylethyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111811525
1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 51132121
N-benzyl-3-[[N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propanamide
CID 111320742
1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111028792

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide (CID 111028789) is 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide is CC(C)(C/N=C(\N)NCCc1ccccc1)N1CCCCC1.I.
What is the InChIKey of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is WQHHHCSSDIWXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-18(2,22-13-7-4-8-14-22)15-21-17(19)20-12-11-16-9-5-3-6-10-16;/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide?
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111028789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).