N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C20H42IN5 — CID 109490096

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(C)N2CCN(CC)CC2)C1.I
InChIInChI=1S/C20H41N5.HI/c1-6-9-20(4)10-8-11-25(17-20)19(21-5)22-16-18(3)24-14-12-23(7-2)13-15-24;/h18H,6-17H2,1-5H3,(H,21,22);1H
InChIKeyNUHGJFAHQVMPMN-UHFFFAOYSA-N
MW479.50 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490096) has the molecular formula C20H42IN5 and a molecular weight of 479.50 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490096
Molecular FormulaC20H42IN5
Molecular Weight479.50 g/mol
Exact Mass479.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(C)N2CCN(CC)CC2)C1.I
InChIInChI=1S/C20H41N5.HI/c1-6-9-20(4)10-8-11-25(17-20)19(21-5)22-16-18(3)24-14-12-23(7-2)13-15-24;/h18H,6-17H2,1-5H3,(H,21,22);1H
InChIKeyNUHGJFAHQVMPMN-UHFFFAOYSA-N
XLogP3.11
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 53.11
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'}

Analyze N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490096) is N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCC(C)N2CCN(CC)CC2)C1.I.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is NUHGJFAHQVMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5.HI/c1-6-9-20(4)10-8-11-25(17-20)19(21-5)22-16-18(3)24-14-12-23(7-2)13-15-24;/h18H,6-17H2,1-5H3,(H,21,22);1H.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 479.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).