N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C17H25IN4 — CID 111210616

IUPACN-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cc2ccccc2[nH]1)N1CCC(C)CC1.I
InChIInChI=1S/C17H24N4.HI/c1-13-7-9-21(10-8-13)17(18-2)19-12-15-11-14-5-3-4-6-16(14)20-15;/h3-6,11,13,20H,7-10,12H2,1-2H3,(H,18,19);1H
InChIKeyFVMCQJPXHDRAIR-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.59
Rot. Bonds2

About N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111210616) has the molecular formula C17H25IN4 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111210616
Molecular FormulaC17H25IN4
Molecular Weight412.32 g/mol
Exact Mass412.11
IUPAC NameN-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cc2ccccc2[nH]1)N1CCC(C)CC1.I
InChIInChI=1S/C17H24N4.HI/c1-13-7-9-21(10-8-13)17(18-2)19-12-15-11-14-5-3-4-6-16(14)20-15;/h3-6,11,13,20H,7-10,12H2,1-2H3,(H,18,19);1H
InChIKeyFVMCQJPXHDRAIR-UHFFFAOYSA-N
XLogP3.59
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.59
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

2-ethyl-N-(1H-indol-2-ylmethyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486479
N-(1H-indol-2-ylmethyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290422
tert-butyl N-[1-[N-(1H-indol-2-ylmethyl)-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729863
4-[(2,5-dimethoxyphenyl)methyl]-N-(1H-indol-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111303194
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212084
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315
N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211506
N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 111145802
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093
N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210128

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111210616) is N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cc2ccccc2[nH]1)N1CCC(C)CC1.I.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FVMCQJPXHDRAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.HI/c1-13-7-9-21(10-8-13)17(18-2)19-12-15-11-14-5-3-4-6-16(14)20-15;/h3-6,11,13,20H,7-10,12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 412.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).