2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide

C19H33IN4 — CID 111080170

IUPAC2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCC1CCCN(C(C)(C)C/N=C(\N)NCCc2ccccc2)C1.I
InChIInChI=1S/C19H32N4.HI/c1-16-8-7-13-23(14-16)19(2,3)15-22-18(20)21-12-11-17-9-5-4-6-10-17;/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H3,20,21,22);1H
InChIKeyWOQMLPGWTBBHAL-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.26
Rot. Bonds6

About 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide

2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111080170) has the molecular formula C19H33IN4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111080170
Molecular FormulaC19H33IN4
Molecular Weight444.41 g/mol
Exact Mass444.17
IUPAC Name2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCC1CCCN(C(C)(C)C/N=C(\N)NCCc2ccccc2)C1.I
InChIInChI=1S/C19H32N4.HI/c1-16-8-7-13-23(14-16)19(2,3)15-22-18(20)21-12-11-17-9-5-4-6-10-17;/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H3,20,21,22);1H
InChIKeyWOQMLPGWTBBHAL-UHFFFAOYSA-N
XLogP3.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.26
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-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111028789
1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080187
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
CID 111080175
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111599534
3-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670761
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194343
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111080214
2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111085392
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047461
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111056848

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide (CID 111080170) is 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide is CC1CCCN(C(C)(C)C/N=C(\N)NCCc2ccccc2)C1.I.
What is the InChIKey of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is WOQMLPGWTBBHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4.HI/c1-16-8-7-13-23(14-16)19(2,3)15-22-18(20)21-12-11-17-9-5-4-6-10-17;/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H3,20,21,22);1H.
What are the key properties of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 444.41 g/mol, XLogP of 3.26, 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-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111080170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).