N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

C13H16F2N2O — CID 88740214

IUPACN-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
SMILESCN1CCC(C(=NO)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-17-7-5-9(6-8-17)13(16-18)12-10(14)3-2-4-11(12)15/h2-4,9,18H,5-8H2,1H3
InChIKeyMSTIINQRXHNRCY-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.48
Rot. Bonds2

About N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine (PubChem CID 88740214) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
PubChem CID88740214
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
SMILESCN1CCC(C(=NO)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-17-7-5-9(6-8-17)13(16-18)12-10(14)3-2-4-11(12)15/h2-4,9,18H,5-8H2,1H3
InChIKeyMSTIINQRXHNRCY-UHFFFAOYSA-N
XLogP2.48
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.48
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-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]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-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine (CID 88740214) is N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine is CN1CCC(C(=NO)c2c(F)cccc2F)CC1.
What is the InChIKey of N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The InChIKey is MSTIINQRXHNRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17-7-5-9(6-8-17)13(16-18)12-10(14)3-2-4-11(12)15/h2-4,9,18H,5-8H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine has a molecular weight of 254.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 88740214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).