N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide

C16H25N3 — CID 111051628

IUPACN'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCc1ccc(C/N=C(\N)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H25N3/c1-12-6-7-15(14(3)9-12)10-18-16(17)19-8-4-5-13(2)11-19/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,17,18)
InChIKeyOUGQXGVAMISQNN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.85
Rot. Bonds2

About N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111051628) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111051628
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCc1ccc(C/N=C(\N)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H25N3/c1-12-6-7-15(14(3)9-12)10-18-16(17)19-8-4-5-13(2)11-19/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,17,18)
InChIKeyOUGQXGVAMISQNN-UHFFFAOYSA-N
XLogP2.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.85
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

N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111822317
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide (CID 111051628) is N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide is Cc1ccc(C/N=C(\N)N2CCCC(C)C2)c(C)c1.
What is the InChIKey of N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is OUGQXGVAMISQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-6-7-15(14(3)9-12)10-18-16(17)19-8-4-5-13(2)11-19/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,17,18).
What are the key properties of N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 259.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111051628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).