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

C15H24N4 — CID 63236757

IUPAC4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N4/c1-18-9-7-12(8-10-18)11-19(2)14-5-3-13(4-6-14)15(16)17/h3-6,12H,7-11H2,1-2H3,(H3,16,17)
InChIKeyCJNWUIXZQYPALT-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.75
Rot. Bonds4

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

4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide (PubChem CID 63236757) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
PubChem CID63236757
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N4/c1-18-9-7-12(8-10-18)11-19(2)14-5-3-13(4-6-14)15(16)17/h3-6,12H,7-11H2,1-2H3,(H3,16,17)
InChIKeyCJNWUIXZQYPALT-UHFFFAOYSA-N
XLogP1.75
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.75
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-bromo-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107279306
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 63087384
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
CID 63276142

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide (CID 63236757) is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CCN(C)CC2)cc1.
What is the InChIKey of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is CJNWUIXZQYPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18-9-7-12(8-10-18)11-19(2)14-5-3-13(4-6-14)15(16)17/h3-6,12H,7-11H2,1-2H3,(H3,16,17).
What are the key properties of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 260.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 63236757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).