N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide

C22H38N6 — CID 110961993

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
SMILESCCN1CCN(CC(C)CN/C(=N\C)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H38N6/c1-4-25-10-12-26(13-11-25)19-20(2)18-24-22(23-3)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-9,20H,4,10-19H2,1-3H3,(H,23,24)
InChIKeyWUAXVFHPQORKCO-UHFFFAOYSA-N
MW386.59 g/mol
LogP1.66
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide (PubChem CID 110961993) has the molecular formula C22H38N6 and a molecular weight of 386.59 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
PubChem CID110961993
Molecular FormulaC22H38N6
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
SMILESCCN1CCN(CC(C)CN/C(=N\C)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H38N6/c1-4-25-10-12-26(13-11-25)19-20(2)18-24-22(23-3)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-9,20H,4,10-19H2,1-3H3,(H,23,24)
InChIKeyWUAXVFHPQORKCO-UHFFFAOYSA-N
XLogP1.66
TPSA37.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 51.66
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'}

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Related Compounds

N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide
CID 110961989
4-(2,3-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide
CID 111238333
4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
CID 111185212
N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961824
4-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111186741
4-(2-methoxyphenyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111133017
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962068
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960866
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110960917
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006459
1-(3,3-diphenylpropyl)-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111233702
4-benzyl-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111152603

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide (CID 110961993) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide is CCN1CCN(CC(C)CN/C(=N\C)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide?
The InChIKey is WUAXVFHPQORKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6/c1-4-25-10-12-26(13-11-25)19-20(2)18-24-22(23-3)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-9,20H,4,10-19H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide has a molecular weight of 386.59 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 110961993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).