2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide

C15H22ClN3O — CID 76945092

IUPAC2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
SMILESCCCC1CCN(c2cccc(Cl)c2C(N)=NO)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-4-11-7-9-19(10-8-11)13-6-3-5-12(16)14(13)15(17)18-20/h3,5-6,11,20H,2,4,7-10H2,1H3,(H2,17,18)
InChIKeyTVILTYIEBNVUMC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 76945092) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
PubChem CID76945092
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
SMILESCCCC1CCN(c2cccc(Cl)c2C(N)=NO)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-4-11-7-9-19(10-8-11)13-6-3-5-12(16)14(13)15(17)18-20/h3,5-6,11,20H,2,4,7-10H2,1H3,(H2,17,18)
InChIKeyTVILTYIEBNVUMC-UHFFFAOYSA-N
XLogP3.45
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.45
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide (CID 76945092) is 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide is CCCC1CCN(c2cccc(Cl)c2C(N)=NO)CC1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is TVILTYIEBNVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-4-11-7-9-19(10-8-11)13-6-3-5-12(16)14(13)15(17)18-20/h3,5-6,11,20H,2,4,7-10H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 295.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76945092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).