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

C17H25IN4 — CID 111095535

IUPACN'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1[nH]c2ccccc2c1CC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C17H24N4.HI/c1-13-14(15-7-3-4-8-16(15)20-13)9-10-19-17(18)21-11-5-2-6-12-21;/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H2,18,19);1H
InChIKeyLFEURSMUOLSTFA-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.44
Rot. Bonds3

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

N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111095535) has the molecular formula C17H25IN4 and a molecular weight of 412.32 g/mol. Its IUPAC name is N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111095535
Molecular FormulaC17H25IN4
Molecular Weight412.32 g/mol
Exact Mass412.11
IUPAC NameN'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1[nH]c2ccccc2c1CC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C17H24N4.HI/c1-13-14(15-7-3-4-8-16(15)20-13)9-10-19-17(18)21-11-5-2-6-12-21;/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H2,18,19);1H
InChIKeyLFEURSMUOLSTFA-UHFFFAOYSA-N
XLogP3.44
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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'-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111095531
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111033752
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111095491
ethyl 4-[N-ethyl-N'-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164580
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
CID 111033753
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111095513
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111095471
1-butan-2-yl-3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110944967
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111095535) is N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is Cc1[nH]c2ccccc2c1CC/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is LFEURSMUOLSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.HI/c1-13-14(15-7-3-4-8-16(15)20-13)9-10-19-17(18)21-11-5-2-6-12-21;/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H2,18,19);1H.
What are the key properties of N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 412.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111095535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).