2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide

C16H25N3 — CID 114593511

IUPAC2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2C)cc1C
InChIInChI=1S/C16H25N3/c1-10-7-11(2)13(4)19(9-10)14-5-6-15(16(17)18)12(3)8-14/h5-6,8,10-11,13H,7,9H2,1-4H3,(H3,17,18)
InChIKeyFKPWREWXUAZNAP-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.15
Rot. Bonds2

About 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide

2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114593511) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114593511
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2C)cc1C
InChIInChI=1S/C16H25N3/c1-10-7-11(2)13(4)19(9-10)14-5-6-15(16(17)18)12(3)8-14/h5-6,8,10-11,13H,7,9H2,1-4H3,(H3,17,18)
InChIKeyFKPWREWXUAZNAP-UHFFFAOYSA-N
XLogP3.15
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.15
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'}

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Related Compounds

2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 107279406
2-methyl-4-(3-methylthiomorpholin-4-yl)benzenecarboximidamide
CID 81278788
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
2-fluoro-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593328
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
4-(azocan-1-yl)-2-methylbenzenecarboximidamide
CID 81279161
N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594245
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzenecarboximidamide
CID 81278399
2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
CID 81278736
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 114593496
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide (CID 114593511) is 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2C)cc1C.
What is the InChIKey of 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is FKPWREWXUAZNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-10-7-11(2)13(4)19(9-10)14-5-6-15(16(17)18)12(3)8-14/h5-6,8,10-11,13H,7,9H2,1-4H3,(H3,17,18).
What are the key properties of 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114593511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).