4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C18H27IN4 — CID 110920739

IUPAC4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc2c(CC/N=C(\N)N3CCC(C)CC3)c[nH]c2c1.I
InChIInChI=1S/C18H26N4.HI/c1-13-6-9-22(10-7-13)18(19)20-8-5-15-12-21-17-11-14(2)3-4-16(15)17;/h3-4,11-13,21H,5-10H2,1-2H3,(H2,19,20);1H
InChIKeyVLOIFSCKHMNJLH-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.68
Rot. Bonds3

About 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110920739) has the molecular formula C18H27IN4 and a molecular weight of 426.35 g/mol. Its IUPAC name is 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110920739
Molecular FormulaC18H27IN4
Molecular Weight426.35 g/mol
Exact Mass426.13
IUPAC Name4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc2c(CC/N=C(\N)N3CCC(C)CC3)c[nH]c2c1.I
InChIInChI=1S/C18H26N4.HI/c1-13-6-9-22(10-7-13)18(19)20-8-5-15-12-21-17-11-14(2)3-4-16(15)17;/h3-4,11-13,21H,5-10H2,1-2H3,(H2,19,20);1H
InChIKeyVLOIFSCKHMNJLH-UHFFFAOYSA-N
XLogP3.68
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.68
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

N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 111108923
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111802149
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934410
N-ethyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450335
1-(3-methoxyphenyl)-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111092485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 110920739) is 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is Cc1ccc2c(CC/N=C(\N)N3CCC(C)CC3)c[nH]c2c1.I.
What is the InChIKey of 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VLOIFSCKHMNJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.HI/c1-13-6-9-22(10-7-13)18(19)20-8-5-15-12-21-17-11-14(2)3-4-16(15)17;/h3-4,11-13,21H,5-10H2,1-2H3,(H2,19,20);1H.
What are the key properties of 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 426.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).