N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C18H38IN5 — CID 111145103

IUPACN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCCC(C)C1.I
InChIInChI=1S/C18H37N5.HI/c1-5-19-18(23-9-7-8-16(3)15-23)20-14-17(4)22-12-10-21(6-2)11-13-22;/h16-17H,5-15H2,1-4H3,(H,19,20);1H
InChIKeyCCLYCANETSFVDV-UHFFFAOYSA-N
MW451.44 g/mol
LogP2.33
Rot. Bonds5

About N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111145103) has the molecular formula C18H38IN5 and a molecular weight of 451.44 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111145103
Molecular FormulaC18H38IN5
Molecular Weight451.44 g/mol
Exact Mass451.22
IUPAC NameN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCCC(C)C1.I
InChIInChI=1S/C18H37N5.HI/c1-5-19-18(23-9-7-8-16(3)15-23)20-14-17(4)22-12-10-21(6-2)11-13-22;/h16-17H,5-15H2,1-4H3,(H,19,20);1H
InChIKeyCCLYCANETSFVDV-UHFFFAOYSA-N
XLogP2.33
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.33
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111145731
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731547
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111145458
4-acetyl-N-ethyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110962738
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960866
4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111152764
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methylcyclohexyl)guanidine
CID 111255723
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144487
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111145103) is N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCCC(C)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is CCLYCANETSFVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5.HI/c1-5-19-18(23-9-7-8-16(3)15-23)20-14-17(4)22-12-10-21(6-2)11-13-22;/h16-17H,5-15H2,1-4H3,(H,19,20);1H.
What are the key properties of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 451.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).