N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C16H22FIN4 — CID 111802149

IUPACN'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1c[nH]c2ccc(F)cc12)N1CCCCC1
InChIInChI=1S/C16H21FN4.HI/c17-13-4-5-15-14(10-13)12(11-20-15)6-7-19-16(18)21-8-2-1-3-9-21;/h4-5,10-11,20H,1-3,6-9H2,(H2,18,19);1H
InChIKeyQTNUFHYBZWGFIV-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.27
Rot. Bonds3

About N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111802149) has the molecular formula C16H22FIN4 and a molecular weight of 416.28 g/mol. Its IUPAC name is N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111802149
Molecular FormulaC16H22FIN4
Molecular Weight416.28 g/mol
Exact Mass416.09
IUPAC NameN'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1c[nH]c2ccc(F)cc12)N1CCCCC1
InChIInChI=1S/C16H21FN4.HI/c17-13-4-5-15-14(10-13)12(11-20-15)6-7-19-16(18)21-8-2-1-3-9-21;/h4-5,10-11,20H,1-3,6-9H2,(H2,18,19);1H
InChIKeyQTNUFHYBZWGFIV-UHFFFAOYSA-N
XLogP3.27
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

tert-butyl 4-[N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111802115
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920739
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-[2-(2,4-difluorophenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111801624
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186041
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111802149) is N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1c[nH]c2ccc(F)cc12)N1CCCCC1.
What is the InChIKey of N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QTNUFHYBZWGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4.HI/c17-13-4-5-15-14(10-13)12(11-20-15)6-7-19-16(18)21-8-2-1-3-9-21;/h4-5,10-11,20H,1-3,6-9H2,(H2,18,19);1H.
What are the key properties of N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 416.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111802149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).