4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide

C21H36N6O — CID 111958709

IUPAC4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(N3CCN(CC)CC3)nc2)CC1
InChIInChI=1S/C21H36N6O/c1-4-25-12-14-26(15-13-25)20-7-6-18(16-23-20)17-24-21(22-3)27-10-8-19(9-11-27)28-5-2/h6-7,16,19H,4-5,8-15,17H2,1-3H3,(H,22,24)
InChIKeyKRDIDNYJZKBGTQ-UHFFFAOYSA-N
MW388.56 g/mol
LogP1.80
Rot. Bonds6

About 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958709) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111958709
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(N3CCN(CC)CC3)nc2)CC1
InChIInChI=1S/C21H36N6O/c1-4-25-12-14-26(15-13-25)20-7-6-18(16-23-20)17-24-21(22-3)27-10-8-19(9-11-27)28-5-2/h6-7,16,19H,4-5,8-15,17H2,1-3H3,(H,22,24)
InChIKeyKRDIDNYJZKBGTQ-UHFFFAOYSA-N
XLogP1.80
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154644
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220847
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724330
1-(2-cycloheptyloxyethyl)-3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111576404
4-benzylidene-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414893
4-ethoxy-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960132
N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426059
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447468
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232712
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62282119
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000568

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide (CID 111958709) is 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCc2ccc(N3CCN(CC)CC3)nc2)CC1.
What is the InChIKey of 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is KRDIDNYJZKBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-4-25-12-14-26(15-13-25)20-7-6-18(16-23-20)17-24-21(22-3)27-10-8-19(9-11-27)28-5-2/h6-7,16,19H,4-5,8-15,17H2,1-3H3,(H,22,24).
What are the key properties of 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 388.56 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).