N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide

C18H26N4 — CID 111807074

IUPACN'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
SMILESCCc1cccc2c(CC/N=C(\N)N3CCCCC3)c[nH]c12
InChIInChI=1S/C18H26N4/c1-2-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19)22-11-4-3-5-12-22/h6-8,13,21H,2-5,9-12H2,1H3,(H2,19,20)
InChIKeyDFHFDOVBKIKSGQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.07
Rot. Bonds4

About N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide

N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111807074) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111807074
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
SMILESCCc1cccc2c(CC/N=C(\N)N3CCCCC3)c[nH]c12
InChIInChI=1S/C18H26N4/c1-2-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19)22-11-4-3-5-12-22/h6-8,13,21H,2-5,9-12H2,1H3,(H2,19,20)
InChIKeyDFHFDOVBKIKSGQ-UHFFFAOYSA-N
XLogP3.07
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.07
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'}

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Related Compounds

1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111807078
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111808934
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111117715
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
N'-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111802149
N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
CID 111806874
[1-[(7-ethyl-1H-indol-3-yl)methyl]piperidin-3-yl]methanol
CID 110244912
N'-propylazocane-1-carboximidamide
CID 62361040

Frequently Asked Questions

What is the IUPAC name of N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide (CID 111807074) is N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide is CCc1cccc2c(CC/N=C(\N)N3CCCCC3)c[nH]c12.
What is the InChIKey of N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is DFHFDOVBKIKSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19)22-11-4-3-5-12-22/h6-8,13,21H,2-5,9-12H2,1H3,(H2,19,20).
What are the key properties of N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide?
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 298.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111807074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).