N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide

C13H19ClN4 — CID 10445670

IUPACN'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Nc2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN4/c1-10-5-4-8-18(9-10)13(15)17-16-12-7-3-2-6-11(12)14/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H2,15,17)
InChIKeyUPRGGXDIUXBHGK-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.71
Rot. Bonds2

About N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide

N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide (PubChem CID 10445670) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide
PubChem CID10445670
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Nc2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN4/c1-10-5-4-8-18(9-10)13(15)17-16-12-7-3-2-6-11(12)14/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H2,15,17)
InChIKeyUPRGGXDIUXBHGK-UHFFFAOYSA-N
XLogP2.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 111043317
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092452
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092451
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
N-(2-chlorophenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799834
N-(2-chlorophenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799844
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide (CID 10445670) is N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Nc2ccccc2Cl)C1.
What is the InChIKey of N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide?
The InChIKey is UPRGGXDIUXBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-10-5-4-8-18(9-10)13(15)17-16-12-7-3-2-6-11(12)14/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H2,15,17).
What are the key properties of N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide?
N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide has a molecular weight of 266.78 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 10445670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).