N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide

C20H27N5O2 — CID 111184434

IUPACN-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(OC)n1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H27N5O2/c1-3-21-20(22-15-16-7-6-10-19(23-16)27-2)25-13-11-24(12-14-25)17-8-4-5-9-18(17)26/h4-10,26H,3,11-15H2,1-2H3,(H,21,22)
InChIKeyWCCMOIZZWKRXNC-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide

N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide (PubChem CID 111184434) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide
PubChem CID111184434
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(OC)n1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H27N5O2/c1-3-21-20(22-15-16-7-6-10-19(23-16)27-2)25-13-11-24(12-14-25)17-8-4-5-9-18(17)26/h4-10,26H,3,11-15H2,1-2H3,(H,21,22)
InChIKeyWCCMOIZZWKRXNC-UHFFFAOYSA-N
XLogP2.08
TPSA73.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
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-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 110955578
ethyl 4-[N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162792
N-ethyl-4-(2-hydroxyphenyl)-N'-[(2-methoxy-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185985
N-ethyl-4-(2-hydroxyphenyl)-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184957
N-ethyl-N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111185014
N-ethyl-4-(2-fluorophenyl)-N'-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111149241
N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184459
N-ethyl-N'-[(4-fluorophenyl)methyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111185043
N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185827
N'-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111184413
N-ethyl-4-(2-fluorophenyl)-N'-[(2-methoxy-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111149062
N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide (CID 111184434) is N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide is CCN/C(=N\Cc1cccc(OC)n1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide?
The InChIKey is WCCMOIZZWKRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-21-20(22-15-16-7-6-10-19(23-16)27-2)25-13-11-24(12-14-25)17-8-4-5-9-18(17)26/h4-10,26H,3,11-15H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide?
N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide has a molecular weight of 369.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111184434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).