N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C12H20IN5 — CID 111219018

IUPACN,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C12H19N5.HI/c1-13-12(14-2)17-9-7-16(8-10-17)11-5-3-4-6-15-11;/h3-6H,7-10H2,1-2H3,(H,13,14);1H
InChIKeyKXENXWNZQQBONY-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.03
Rot. Bonds1

About N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111219018) has the molecular formula C12H20IN5 and a molecular weight of 361.23 g/mol. Its IUPAC name is N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111219018
Molecular FormulaC12H20IN5
Molecular Weight361.23 g/mol
Exact Mass361.08
IUPAC NameN,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C12H19N5.HI/c1-13-12(14-2)17-9-7-16(8-10-17)11-5-3-4-6-15-11;/h3-6H,7-10H2,1-2H3,(H,13,14);1H
InChIKeyKXENXWNZQQBONY-UHFFFAOYSA-N
XLogP1.03
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119130899
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N'-methyl-N-[(2-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219180
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
N'-methyl-N-(2-methyl-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221228
N'-methyl-4-pyridin-2-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111219776
N-[(5-bromothiophen-2-yl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219608
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119154696
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111220768
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221122
N-methyl-3-[[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]benzamide
CID 111220897
4-[[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111219588

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 111219018) is N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NC)N1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is KXENXWNZQQBONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.HI/c1-13-12(14-2)17-9-7-16(8-10-17)11-5-3-4-6-15-11;/h3-6H,7-10H2,1-2H3,(H,13,14);1H.
What are the key properties of N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111219018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).