N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide

C17H27N3 — CID 111818646

IUPACN'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCc1cc(C)cc(CC/N=C(\N)N2CCCC(C)C2)c1
InChIInChI=1S/C17H27N3/c1-13-5-4-8-20(12-13)17(18)19-7-6-16-10-14(2)9-15(3)11-16/h9-11,13H,4-8,12H2,1-3H3,(H2,18,19)
InChIKeyPIRFNDDOAKJMNG-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.89
Rot. Bonds3

About N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111818646) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111818646
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCc1cc(C)cc(CC/N=C(\N)N2CCCC(C)C2)c1
InChIInChI=1S/C17H27N3/c1-13-5-4-8-20(12-13)17(18)19-7-6-16-10-14(2)9-15(3)11-16/h9-11,13H,4-8,12H2,1-3H3,(H2,18,19)
InChIKeyPIRFNDDOAKJMNG-UHFFFAOYSA-N
XLogP2.89
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.89
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'}

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Related Compounds

3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
3-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817572
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111100219
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111818646) is N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide is Cc1cc(C)cc(CC/N=C(\N)N2CCCC(C)C2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is PIRFNDDOAKJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-5-4-8-20(12-13)17(18)19-7-6-16-10-14(2)9-15(3)11-16/h9-11,13H,4-8,12H2,1-3H3,(H2,18,19).
What are the key properties of N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111818646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).