4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C22H37IN4 — CID 111152941

IUPAC4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1CCN(C)CC1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C22H36N4.HI/c1-23-22(24-13-8-19-9-14-25(2)15-10-19)26-16-11-21(12-17-26)18-20-6-4-3-5-7-20;/h3-7,19,21H,8-18H2,1-2H3,(H,23,24);1H
InChIKeyKBDIELLMJRSVJK-UHFFFAOYSA-N
MW484.47 g/mol
LogP3.87
Rot. Bonds5

About 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111152941) has the molecular formula C22H37IN4 and a molecular weight of 484.47 g/mol. Its IUPAC name is 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111152941
Molecular FormulaC22H37IN4
Molecular Weight484.47 g/mol
Exact Mass484.21
IUPAC Name4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1CCN(C)CC1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C22H36N4.HI/c1-23-22(24-13-8-19-9-14-25(2)15-10-19)26-16-11-21(12-17-26)18-20-6-4-3-5-7-20;/h3-7,19,21H,8-18H2,1-2H3,(H,23,24);1H
InChIKeyKBDIELLMJRSVJK-UHFFFAOYSA-N
XLogP3.87
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 53.87
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

4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111152499
4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111177797
4-benzyl-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111152603
N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263120
3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111152434
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
N-[4-[2-[[C-(4-benzylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]phenyl]acetamide
CID 111152946
4-benzyl-1-methylpiperidine;ethane
CID 142009767
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111725187
3-benzyl-N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725338
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111152941) is 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC1CCN(C)CC1)N1CCC(Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KBDIELLMJRSVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4.HI/c1-23-22(24-13-8-19-9-14-25(2)15-10-19)26-16-11-21(12-17-26)18-20-6-4-3-5-7-20;/h3-7,19,21H,8-18H2,1-2H3,(H,23,24);1H.
What are the key properties of 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 484.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111152941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).