3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide

C16H26N4 — CID 107110265

IUPAC3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H26N4/c1-12-5-4-6-14(16(17)18)15(12)20(3)11-13-7-9-19(2)10-8-13/h4-6,13H,7-11H2,1-3H3,(H3,17,18)
InChIKeyICNLNBYKMDDMAV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide

3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide (PubChem CID 107110265) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
PubChem CID107110265
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H26N4/c1-12-5-4-6-14(16(17)18)15(12)20(3)11-13-7-9-19(2)10-8-13/h4-6,13H,7-11H2,1-3H3,(H3,17,18)
InChIKeyICNLNBYKMDDMAV-UHFFFAOYSA-N
XLogP2.06
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.06
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

2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
2-bromo-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107279306
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
CID 63276142
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide (CID 107110265) is 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(C)CC1CCN(C)CC1.
What is the InChIKey of 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is ICNLNBYKMDDMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-5-4-6-14(16(17)18)15(12)20(3)11-13-7-9-19(2)10-8-13/h4-6,13H,7-11H2,1-3H3,(H3,17,18).
What are the key properties of 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 274.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 107110265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).