(NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine

C14H20N2O — CID 15122824

IUPAC(NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
SMILESCC1CCCCN1C/C(=N/O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12-7-5-6-10-16(12)11-14(15-17)13-8-3-2-4-9-13/h2-4,8-9,12,17H,5-7,10-11H2,1H3/b15-14-
InChIKeyOFNKJPNJEAAQRZ-PFONDFGASA-N
MW232.33 g/mol
LogP2.74
Rot. Bonds3

About (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine

(NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine (PubChem CID 15122824) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
PubChem CID15122824
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
SMILESCC1CCCCN1C/C(=N/O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12-7-5-6-10-16(12)11-14(15-17)13-8-3-2-4-9-13/h2-4,8-9,12,17H,5-7,10-11H2,1H3/b15-14-
InChIKeyOFNKJPNJEAAQRZ-PFONDFGASA-N
XLogP2.74
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.74
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-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine (CID 15122824) is (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine is CC1CCCCN1C/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
The InChIKey is OFNKJPNJEAAQRZ-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-7-5-6-10-16(12)11-14(15-17)13-8-3-2-4-9-13/h2-4,8-9,12,17H,5-7,10-11H2,1H3/b15-14-.
What are the key properties of (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
(NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2-methylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 15122824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).