N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine

C15H18F2N2O — CID 86738604

IUPACN-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine
SMILESC=CCN1CCC(C(=NO)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N2O/c1-2-7-19-8-5-11(6-9-19)15(18-20)13-4-3-12(16)10-14(13)17/h2-4,10-11,20H,1,5-9H2
InChIKeyKRQUKBDCZLLWIG-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.04
Rot. Bonds4

About N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine

N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine (PubChem CID 86738604) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine
PubChem CID86738604
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine
SMILESC=CCN1CCC(C(=NO)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N2O/c1-2-7-19-8-5-11(6-9-19)15(18-20)13-4-3-12(16)10-14(13)17/h2-4,10-11,20H,1,5-9H2
InChIKeyKRQUKBDCZLLWIG-UHFFFAOYSA-N
XLogP3.04
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine (CID 86738604) is N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine is C=CCN1CCC(C(=NO)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine?
The InChIKey is KRQUKBDCZLLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-2-7-19-8-5-11(6-9-19)15(18-20)13-4-3-12(16)10-14(13)17/h2-4,10-11,20H,1,5-9H2.
What are the key properties of N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine?
N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine has a molecular weight of 280.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 86738604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).