(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

C16H22N2O2 — CID 114509498

IUPAC(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC2COc3ccccc32)CC/C1=N\O
InChIInChI=1S/C16H22N2O2/c1-2-12-9-18(8-7-15(12)17-19)10-13-11-20-16-6-4-3-5-14(13)16/h3-6,12-13,19H,2,7-11H2,1H3/b17-15+
InChIKeyFBIHSJKPLGZBBK-BMRADRMJSA-N
MW274.36 g/mol
LogP2.72
Rot. Bonds3

About (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 114509498) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
PubChem CID114509498
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC2COc3ccccc32)CC/C1=N\O
InChIInChI=1S/C16H22N2O2/c1-2-12-9-18(8-7-15(12)17-19)10-13-11-20-16-6-4-3-5-14(13)16/h3-6,12-13,19H,2,7-11H2,1H3/b17-15+
InChIKeyFBIHSJKPLGZBBK-BMRADRMJSA-N
XLogP2.72
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (CID 114509498) is (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is CCC1CN(CC2COc3ccccc32)CC/C1=N\O.
What is the InChIKey of (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is FBIHSJKPLGZBBK-BMRADRMJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-12-9-18(8-7-15(12)17-19)10-13-11-20-16-6-4-3-5-14(13)16/h3-6,12-13,19H,2,7-11H2,1H3/b17-15+.
What are the key properties of (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 274.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114509498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).