4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C19H28IN5O — CID 111959758

IUPAC4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCc2cnn(-c3ccccc3)c2)CC1.I
InChIInChI=1S/C19H27N5O.HI/c1-3-25-18-9-11-23(12-10-18)19(20-2)21-13-16-14-22-24(15-16)17-7-5-4-6-8-17;/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,20,21);1H
InChIKeyPFYALZJMCWFZQI-UHFFFAOYSA-N
MW469.37 g/mol
LogP3.07
Rot. Bonds5

About 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111959758) has the molecular formula C19H28IN5O and a molecular weight of 469.37 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111959758
Molecular FormulaC19H28IN5O
Molecular Weight469.37 g/mol
Exact Mass469.13
IUPAC Name4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCc2cnn(-c3ccccc3)c2)CC1.I
InChIInChI=1S/C19H27N5O.HI/c1-3-25-18-9-11-23(12-10-18)19(20-2)21-13-16-14-22-24(15-16)17-7-5-4-6-8-17;/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,20,21);1H
InChIKeyPFYALZJMCWFZQI-UHFFFAOYSA-N
XLogP3.07
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-benzylpyrazol-4-yl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959155
4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111958140
N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444164
N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377061
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425967
4-ethoxy-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960514
4-ethoxy-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960132
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
4-ethoxy-N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111959461
4-ethoxy-N-[(2-ethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960028
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111960875

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111959758) is 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCc2cnn(-c3ccccc3)c2)CC1.I.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is PFYALZJMCWFZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.HI/c1-3-25-18-9-11-23(12-10-18)19(20-2)21-13-16-14-22-24(15-16)17-7-5-4-6-8-17;/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 469.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).