N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine

C11H12Cl2N2O — CID 57419534

IUPACN-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C11H12Cl2N2O/c12-10-2-1-9(7-11(10)13)15-5-3-8(14-16)4-6-15/h1-2,7,16H,3-6H2
InChIKeyMYYHIUSFEHDIQA-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.42
Rot. Bonds1

About N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine

N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 57419534) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine
PubChem CID57419534
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC NameN-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C11H12Cl2N2O/c12-10-2-1-9(7-11(10)13)15-5-3-8(14-16)4-6-15/h1-2,7,16H,3-6H2
InChIKeyMYYHIUSFEHDIQA-UHFFFAOYSA-N
XLogP3.42
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine (CID 57419534) is N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is MYYHIUSFEHDIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-10-2-1-9(7-11(10)13)15-5-3-8(14-16)4-6-15/h1-2,7,16H,3-6H2.
What are the key properties of N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 259.14 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 57419534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).