N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C19H32IN3O — CID 111146039

IUPACN',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCCOCc1ccccc1CN/C(=N/C)N1CCCC(C)C1.I
InChIInChI=1S/C19H31N3O.HI/c1-4-12-23-15-18-10-6-5-9-17(18)13-21-19(20-3)22-11-7-8-16(2)14-22;/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3,(H,20,21);1H
InChIKeyJHYYJXNILRCRNV-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.04
Rot. Bonds6

About N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111146039) has the molecular formula C19H32IN3O and a molecular weight of 445.39 g/mol. Its IUPAC name is N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111146039
Molecular FormulaC19H32IN3O
Molecular Weight445.39 g/mol
Exact Mass445.16
IUPAC NameN',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCCOCc1ccccc1CN/C(=N/C)N1CCCC(C)C1.I
InChIInChI=1S/C19H31N3O.HI/c1-4-12-23-15-18-10-6-5-9-17(18)13-21-19(20-3)22-11-7-8-16(2)14-22;/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3,(H,20,21);1H
InChIKeyJHYYJXNILRCRNV-UHFFFAOYSA-N
XLogP4.04
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
N'-[[2-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144139
tert-butyl N-[1-[N'-methyl-N-[[2-(propoxymethyl)phenyl]methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729484
N-[(2-ethoxy-3-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144415
N'-methyl-4-(oxolane-2-carbonyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111302312
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145517
N-[[2-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111736401
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111144049
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144335

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111146039) is N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is CCCOCc1ccccc1CN/C(=N/C)N1CCCC(C)C1.I.
What is the InChIKey of N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is JHYYJXNILRCRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.HI/c1-4-12-23-15-18-10-6-5-9-17(18)13-21-19(20-3)22-11-7-8-16(2)14-22;/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3,(H,20,21);1H.
What are the key properties of N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 445.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111146039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).