2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide

C14H20ClN3O — CID 107392884

IUPAC2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCCC(C)(OC)C1
InChIInChI=1S/C14H20ClN3O/c1-14(19-2)7-4-8-18(9-14)11-6-3-5-10(15)12(11)13(16)17/h3,5-6H,4,7-9H2,1-2H3,(H3,16,17)
InChIKeyNKNGRMSAZJQTIK-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide

2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 107392884) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID107392884
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCCC(C)(OC)C1
InChIInChI=1S/C14H20ClN3O/c1-14(19-2)7-4-8-18(9-14)11-6-3-5-10(15)12(11)13(16)17/h3,5-6H,4,7-9H2,1-2H3,(H3,16,17)
InChIKeyNKNGRMSAZJQTIK-UHFFFAOYSA-N
XLogP2.63
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide (CID 107392884) is 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N1CCCC(C)(OC)C1.
What is the InChIKey of 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is NKNGRMSAZJQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-14(19-2)7-4-8-18(9-14)11-6-3-5-10(15)12(11)13(16)17/h3,5-6H,4,7-9H2,1-2H3,(H3,16,17).
What are the key properties of 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107392884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).