4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide

C17H28N4O — CID 111959845

IUPAC4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(C)n1)N1CCC(OCC)CC1
InChIInChI=1S/C17H28N4O/c1-4-18-17(19-13-15-8-6-7-14(3)20-15)21-11-9-16(10-12-21)22-5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,18,19)
InChIKeyHYEAUIJJFHNDNC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.36
Rot. Bonds5

About 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide

4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide (PubChem CID 111959845) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide
PubChem CID111959845
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(C)n1)N1CCC(OCC)CC1
InChIInChI=1S/C17H28N4O/c1-4-18-17(19-13-15-8-6-7-14(3)20-15)21-11-9-16(10-12-21)22-5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,18,19)
InChIKeyHYEAUIJJFHNDNC-UHFFFAOYSA-N
XLogP2.36
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443448
N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728068
N'-[(3-bromophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959518
N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526031
N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220929
4-ethoxy-N'-[(3-ethoxyphenyl)methyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958734
4-ethoxy-N-ethyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111958653
N-ethyl-4-(2-fluorophenyl)-N'-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111149241
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959786
N'-[(3-cyanophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959458
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
4-ethoxy-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111960507

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide (CID 111959845) is 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide is CCN/C(=N\Cc1cccc(C)n1)N1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide?
The InChIKey is HYEAUIJJFHNDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-18-17(19-13-15-8-6-7-14(3)20-15)21-11-9-16(10-12-21)22-5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,18,19).
What are the key properties of 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide?
4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide has a molecular weight of 304.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).