N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

C18H31FIN5 — CID 111055396

IUPACN'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(C)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C18H30FN5.HI/c1-4-22(5-2)15(3)14-21-18(20)24-12-10-23(11-13-24)17-8-6-16(19)7-9-17;/h6-9,15H,4-5,10-14H2,1-3H3,(H2,20,21);1H
InChIKeyOZOOXTOABMMLQB-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.61
Rot. Bonds6

About N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111055396) has the molecular formula C18H31FIN5 and a molecular weight of 463.38 g/mol. Its IUPAC name is N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111055396
Molecular FormulaC18H31FIN5
Molecular Weight463.38 g/mol
Exact Mass463.16
IUPAC NameN'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(C)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C18H30FN5.HI/c1-4-22(5-2)15(3)14-21-18(20)24-12-10-23(11-13-24)17-8-6-16(19)7-9-17;/h6-9,15H,4-5,10-14H2,1-3H3,(H2,20,21);1H
InChIKeyOZOOXTOABMMLQB-UHFFFAOYSA-N
XLogP2.61
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.61
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-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-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

Related Compounds

4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111816893
4-(4-fluorophenyl)-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide;hydroiodide
CID 111822733
4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111097686
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111802248
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111099199
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide (CID 111055396) is N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide is CCN(CC)C(C)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OZOOXTOABMMLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN5.HI/c1-4-22(5-2)15(3)14-21-18(20)24-12-10-23(11-13-24)17-8-6-16(19)7-9-17;/h6-9,15H,4-5,10-14H2,1-3H3,(H2,20,21);1H.
What are the key properties of N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 463.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111055396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).