(NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine

C15H18F4N2O — CID 90822113

IUPAC(NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESCCN1CCC(/C(=N/O)c2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C15H18F4N2O/c1-2-21-7-5-10(6-8-21)14(20-22)12-4-3-11(9-13(12)16)15(17,18)19/h3-4,9-10,22H,2,5-8H2,1H3/b20-14-
InChIKeyQWXBFOGMOUBIGP-ZHZULCJRSA-N
MW318.31 g/mol
LogP3.75
Rot. Bonds3

About (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine

(NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine (PubChem CID 90822113) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
PubChem CID90822113
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC Name(NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESCCN1CCC(/C(=N/O)c2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C15H18F4N2O/c1-2-21-7-5-10(6-8-21)14(20-22)12-4-3-11(9-13(12)16)15(17,18)19/h3-4,9-10,22H,2,5-8H2,1H3/b20-14-
InChIKeyQWXBFOGMOUBIGP-ZHZULCJRSA-N
XLogP3.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.75
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-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine (CID 90822113) is (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine is CCN1CCC(/C(=N/O)c2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is QWXBFOGMOUBIGP-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H18F4N2O/c1-2-21-7-5-10(6-8-21)14(20-22)12-4-3-11(9-13(12)16)15(17,18)19/h3-4,9-10,22H,2,5-8H2,1H3/b20-14-.
What are the key properties of (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
(NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 318.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 90822113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).