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

C15H23ClN4 — CID 63236890

IUPAC2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C15H23ClN4/c1-19-7-5-11(6-8-19)10-20(2)12-3-4-13(15(17)18)14(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H3,17,18)
InChIKeyNNBGEPIHJYGMQL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.40
Rot. Bonds4

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

2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide (PubChem CID 63236890) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
PubChem CID63236890
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C15H23ClN4/c1-19-7-5-11(6-8-19)10-20(2)12-3-4-13(15(17)18)14(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H3,17,18)
InChIKeyNNBGEPIHJYGMQL-UHFFFAOYSA-N
XLogP2.40
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.40
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
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide
CID 63207722
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
2-bromo-4-[cyclobutylmethyl(methyl)amino]benzenecarboximidamide
CID 107279277
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
2-chloro-4-[(2-hydroxy-2-methylpropyl)-methylamino]benzenecarboximidamide
CID 79387914
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
CID 63276142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide (CID 63236890) is 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CCN(C)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is NNBGEPIHJYGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-19-7-5-11(6-8-19)10-20(2)12-3-4-13(15(17)18)14(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H3,17,18).
What are the key properties of 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide?
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 294.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 63236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).