(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine

C13H18N2O — CID 5382709

IUPAC(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine
SMILESO/N=C(/CN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c16-14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15/h1,3-4,7-8,16H,2,5-6,9-11H2/b14-13-
InChIKeyONQHVDKNKWGSIH-YPKPFQOOSA-N
MW218.30 g/mol
LogP2.35
Rot. Bonds3

About (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine

(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine (PubChem CID 5382709) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine
PubChem CID5382709
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine
SMILESO/N=C(/CN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c16-14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15/h1,3-4,7-8,16H,2,5-6,9-11H2/b14-13-
InChIKeyONQHVDKNKWGSIH-YPKPFQOOSA-N
XLogP2.35
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.35
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 (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine (CID 5382709) is (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine is O/N=C(/CN1CCCCC1)c1ccccc1.
What is the InChIKey of (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine?
The InChIKey is ONQHVDKNKWGSIH-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O/c16-14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15/h1,3-4,7-8,16H,2,5-6,9-11H2/b14-13-.
What are the key properties of (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine?
(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine has a molecular weight of 218.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine is sourced from PubChem (CID 5382709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).