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

C13H16F2N2O — CID 21306888

IUPAC(NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
SMILESCN1CCC(/C(=N/O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-17-6-4-9(5-7-17)13(16-18)11-3-2-10(14)8-12(11)15/h2-3,8-9,18H,4-7H2,1H3/b16-13-
InChIKeySZDJGNWIHAVKJO-SSZFMOIBSA-N
MW254.28 g/mol
LogP2.48
Rot. Bonds2

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

(NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine (PubChem CID 21306888) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
PubChem CID21306888
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
SMILESCN1CCC(/C(=N/O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-17-6-4-9(5-7-17)13(16-18)11-3-2-10(14)8-12(11)15/h2-3,8-9,18H,4-7H2,1H3/b16-13-
InChIKeySZDJGNWIHAVKJO-SSZFMOIBSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine (CID 21306888) is (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine is CN1CCC(/C(=N/O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The InChIKey is SZDJGNWIHAVKJO-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17-6-4-9(5-7-17)13(16-18)11-3-2-10(14)8-12(11)15/h2-3,8-9,18H,4-7H2,1H3/b16-13-.
What are the key properties of (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
(NZ)-N-[(2,4-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 (NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 21306888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).