N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide

C9H20IN3 — CID 86768469

IUPACN,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC)N1CCC(C)CC1.I
InChIInChI=1S/C9H19N3.HI/c1-8-4-6-12(7-5-8)9(10-2)11-3;/h8H,4-7H2,1-3H3,(H,10,11);1H
InChIKeyBQBWMMUCIZPVKL-UHFFFAOYSA-N
MW297.18 g/mol
LogP1.54
Rot. Bonds

About N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide

N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 86768469) has the molecular formula C9H20IN3 and a molecular weight of 297.18 g/mol. Its IUPAC name is N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID86768469
Molecular FormulaC9H20IN3
Molecular Weight297.18 g/mol
Exact Mass297.07
IUPAC NameN,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC)N1CCC(C)CC1.I
InChIInChI=1S/C9H19N3.HI/c1-8-4-6-12(7-5-8)9(10-2)11-3;/h8H,4-7H2,1-3H3,(H,10,11);1H
InChIKeyBQBWMMUCIZPVKL-UHFFFAOYSA-N
XLogP1.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
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'}

Analyze N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide
CID 161435717
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
N-[2-(diethylamino)propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211998
N',4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211464
N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111209855
N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212084
3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111210468
N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
CID 111210317

Frequently Asked Questions

What is the IUPAC name of N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 86768469) is N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NC)N1CCC(C)CC1.I.
What is the InChIKey of N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BQBWMMUCIZPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.HI/c1-8-4-6-12(7-5-8)9(10-2)11-3;/h8H,4-7H2,1-3H3,(H,10,11);1H.
What are the key properties of N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide?
N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 297.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 86768469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).