N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C20H35IN4 — CID 111210128

IUPACN',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1CN(C)C(C)C)N1CCC(C)CC1.I
InChIInChI=1S/C20H34N4.HI/c1-16(2)23(5)15-19-9-7-6-8-18(19)14-22-20(21-4)24-12-10-17(3)11-13-24;/h6-9,16-17H,10-15H2,1-5H3,(H,21,22);1H
InChIKeySBUFNJACTZCWMH-UHFFFAOYSA-N
MW458.43 g/mol
LogP3.95
Rot. Bonds5

About N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111210128) has the molecular formula C20H35IN4 and a molecular weight of 458.43 g/mol. Its IUPAC name is N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111210128
Molecular FormulaC20H35IN4
Molecular Weight458.43 g/mol
Exact Mass458.19
IUPAC NameN',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1CN(C)C(C)C)N1CCC(C)CC1.I
InChIInChI=1S/C20H34N4.HI/c1-16(2)23(5)15-19-9-7-6-8-18(19)14-22-20(21-4)24-12-10-17(3)11-13-24;/h6-9,16-17H,10-15H2,1-5H3,(H,21,22);1H
InChIKeySBUFNJACTZCWMH-UHFFFAOYSA-N
XLogP3.95
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
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

N'-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741957
N'-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219330
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734110
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
tert-butyl N-[1-[N'-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729914
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315
N-[2-(dimethylamino)-2-phenylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209926
ethyl 1-[N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154829
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 87003932
methyl 1-[N'-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253826
2-methyl-1-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374717
2-methyl-1-[(2-methylphenyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 111359804

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111210128) is N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1ccccc1CN(C)C(C)C)N1CCC(C)CC1.I.
What is the InChIKey of N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is SBUFNJACTZCWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4.HI/c1-16(2)23(5)15-19-9-7-6-8-18(19)14-22-20(21-4)24-12-10-17(3)11-13-24;/h6-9,16-17H,10-15H2,1-5H3,(H,21,22);1H.
What are the key properties of N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 458.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).