4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide

C17H28N4 — CID 114483486

IUPAC4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCN(CC)CC2)c(C)c1
InChIInChI=1S/C17H28N4/c1-4-21-9-7-16(8-10-21)20(3)12-15-6-5-14(17(18)19)11-13(15)2/h5-6,11,16H,4,7-10,12H2,1-3H3,(H3,18,19)
InChIKeyCSIRGGGMPIXYII-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.20
Rot. Bonds5

About 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide

4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483486) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
PubChem CID114483486
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCN(CC)CC2)c(C)c1
InChIInChI=1S/C17H28N4/c1-4-21-9-7-16(8-10-21)20(3)12-15-6-5-14(17(18)19)11-13(15)2/h5-6,11,16H,4,7-10,12H2,1-3H3,(H3,18,19)
InChIKeyCSIRGGGMPIXYII-UHFFFAOYSA-N
XLogP2.20
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
4-[[cyclopentyl(methyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482466
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 114483390

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide (CID 114483486) is 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C2CCN(CC)CC2)c(C)c1.
What is the InChIKey of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is CSIRGGGMPIXYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-21-9-7-16(8-10-21)20(3)12-15-6-5-14(17(18)19)11-13(15)2/h5-6,11,16H,4,7-10,12H2,1-3H3,(H3,18,19).
What are the key properties of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide?
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 288.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).