2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide

C19H28F3IN4 — CID 111815115

IUPAC2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCCN(C)C1c1ccc(C(F)(F)F)cc1.I
InChIInChI=1S/C19H27F3N4.HI/c1-13(2)11-24-18(23)25-12-15-5-4-10-26(3)17(15)14-6-8-16(9-7-14)19(20,21)22;/h6-9,15,17H,1,4-5,10-12H2,2-3H3,(H3,23,24,25);1H
InChIKeyRVYLUIIPLTVKHH-UHFFFAOYSA-N
MW496.36 g/mol
LogP4.19
Rot. Bonds5

About 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide (PubChem CID 111815115) has the molecular formula C19H28F3IN4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide
PubChem CID111815115
Molecular FormulaC19H28F3IN4
Molecular Weight496.36 g/mol
Exact Mass496.13
IUPAC Name2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCCN(C)C1c1ccc(C(F)(F)F)cc1.I
InChIInChI=1S/C19H27F3N4.HI/c1-13(2)11-24-18(23)25-12-15-5-4-10-26(3)17(15)14-6-8-16(9-7-14)19(20,21)22;/h6-9,15,17H,1,4-5,10-12H2,2-3H3,(H3,23,24,25);1H
InChIKeyRVYLUIIPLTVKHH-UHFFFAOYSA-N
XLogP4.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.36
LogP ≤ 54.19
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'}

Analyze 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]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-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine
CID 111815116
2-(cyclobutylmethyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine
CID 111815130
1-butyl-2-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111815131
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
2-methyl-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-3-propan-2-ylguanidine
CID 111791909
2-(methylamino)-N-[[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 124890649
1-(3-ethoxypropyl)-2-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine
CID 111815094
N-[1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86968774
N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 86968775
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111814515
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 95240602

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide (CID 111815115) is 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide is C=C(C)C/N=C(\N)NCC1CCCN(C)C1c1ccc(C(F)(F)F)cc1.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide?
The InChIKey is RVYLUIIPLTVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4.HI/c1-13(2)11-24-18(23)25-12-15-5-4-10-26(3)17(15)14-6-8-16(9-7-14)19(20,21)22;/h6-9,15,17H,1,4-5,10-12H2,2-3H3,(H3,23,24,25);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide has a molecular weight of 496.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111815115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).