N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide

C22H30N4O — CID 110960789

IUPACN-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(COC)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-3-23-22(24-17-19-9-11-20(12-10-19)18-27-2)26-15-13-25(14-16-26)21-7-5-4-6-8-21/h4-12H,3,13-18H2,1-2H3,(H,23,24)
InChIKeyYMADVVQQYWSREM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide

N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide (PubChem CID 110960789) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
PubChem CID110960789
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(COC)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-3-23-22(24-17-19-9-11-20(12-10-19)18-27-2)26-15-13-25(14-16-26)21-7-5-4-6-8-21/h4-12H,3,13-18H2,1-2H3,(H,23,24)
InChIKeyYMADVVQQYWSREM-UHFFFAOYSA-N
XLogP3.12
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.12
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'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961248
N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960742
ethyl 4-[N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163903
N-ethyl-N'-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962082
N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960785
N-ethyl-N'-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961658
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 110960632
N-ethyl-4-phenyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960640
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962139
N'-[(4-cyanophenyl)methyl]-N-ethyl-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 111242263
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide (CID 110960789) is N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide is CCN/C(=N\Cc1ccc(COC)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide?
The InChIKey is YMADVVQQYWSREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-23-22(24-17-19-9-11-20(12-10-19)18-27-2)26-15-13-25(14-16-26)21-7-5-4-6-8-21/h4-12H,3,13-18H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide?
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide has a molecular weight of 366.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 110960789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).