N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C15H23ClIN3 — CID 111212084

IUPACN-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(Cl)cc1)N1CCC(C)CC1.I
InChIInChI=1S/C15H22ClN3.HI/c1-12-7-9-19(10-8-12)15(17-2)18-11-13-3-5-14(16)6-4-13;/h3-6,12H,7-11H2,1-2H3,(H,17,18);1H
InChIKeyBISSHLQYGDQKNW-UHFFFAOYSA-N
MW407.73 g/mol
LogP3.77
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111212084) has the molecular formula C15H23ClIN3 and a molecular weight of 407.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111212084
Molecular FormulaC15H23ClIN3
Molecular Weight407.73 g/mol
Exact Mass407.06
IUPAC NameN-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(Cl)cc1)N1CCC(C)CC1.I
InChIInChI=1S/C15H22ClN3.HI/c1-12-7-9-19(10-8-12)15(17-2)18-11-13-3-5-14(16)6-4-13;/h3-6,12H,7-11H2,1-2H3,(H,17,18);1H
InChIKeyBISSHLQYGDQKNW-UHFFFAOYSA-N
XLogP3.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
methyl 1-[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255122
N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211979
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210327
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
N-[(4-methoxyphenyl)methyl]-2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide
CID 111210945
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210070
N-benzyl-3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111209903
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111131703
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111212084) is N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccc(Cl)cc1)N1CCC(C)CC1.I.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BISSHLQYGDQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3.HI/c1-12-7-9-19(10-8-12)15(17-2)18-11-13-3-5-14(16)6-4-13;/h3-6,12H,7-11H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 407.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111212084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).