(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine

C18H20N2O — CID 139937819

IUPAC(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine
SMILESO/N=C1\CCCN(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c21-19-17-12-7-13-20(14-15-8-3-1-4-9-15)18(17)16-10-5-2-6-11-16/h1-6,8-11,18,21H,7,12-14H2/b19-17+/t18-/m0/s1
InChIKeyXDJMDFIPYPVCIZ-GHNGSUTGSA-N
MW280.37 g/mol
LogP3.85
Rot. Bonds3

About (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine

(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine (PubChem CID 139937819) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine
PubChem CID139937819
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine
SMILESO/N=C1\CCCN(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c21-19-17-12-7-13-20(14-15-8-3-1-4-9-15)18(17)16-10-5-2-6-11-16/h1-6,8-11,18,21H,7,12-14H2/b19-17+/t18-/m0/s1
InChIKeyXDJMDFIPYPVCIZ-GHNGSUTGSA-N
XLogP3.85
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.85
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine (CID 139937819) is (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine is O/N=C1\CCCN(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine?
The InChIKey is XDJMDFIPYPVCIZ-GHNGSUTGSA-N. The full InChI is InChI=1S/C18H20N2O/c21-19-17-12-7-13-20(14-15-8-3-1-4-9-15)18(17)16-10-5-2-6-11-16/h1-6,8-11,18,21H,7,12-14H2/b19-17+/t18-/m0/s1.
What are the key properties of (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine?
(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine is sourced from PubChem (CID 139937819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).