(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine

C20H22N2O2 — CID 10381463

IUPAC(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine
SMILESO/N=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21
InChIInChI=1S/C20H22N2O2/c23-21-20-18-7-3-2-6-16(18)17-9-8-15(14-19(17)20)24-13-12-22-10-4-1-5-11-22/h2-3,6-9,14,23H,1,4-5,10-13H2/b21-20+
InChIKeyRHFLZSUIVOSCKT-QZQOTICOSA-N
MW322.41 g/mol
LogP3.76
Rot. Bonds4

About (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine

(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine (PubChem CID 10381463) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine
PubChem CID10381463
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine
SMILESO/N=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21
InChIInChI=1S/C20H22N2O2/c23-21-20-18-7-3-2-6-16(18)17-9-8-15(14-19(17)20)24-13-12-22-10-4-1-5-11-22/h2-3,6-9,14,23H,1,4-5,10-13H2/b21-20+
InChIKeyRHFLZSUIVOSCKT-QZQOTICOSA-N
XLogP3.76
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.76
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-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine (CID 10381463) is (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine is O/N=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21.
What is the InChIKey of (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine?
The InChIKey is RHFLZSUIVOSCKT-QZQOTICOSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-21-20-18-7-3-2-6-16(18)17-9-8-15(14-19(17)20)24-13-12-22-10-4-1-5-11-22/h2-3,6-9,14,23H,1,4-5,10-13H2/b21-20+.
What are the key properties of (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine?
(NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine has a molecular weight of 322.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]hydroxylamine is sourced from PubChem (CID 10381463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).