2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol

C21H23NO2 — CID 58820419

IUPAC2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol
SMILESOCCc1ccc2c(c1)C(=C1CCNCC1)c1ccccc1CO2
InChIInChI=1S/C21H23NO2/c23-12-9-15-5-6-20-19(13-15)21(16-7-10-22-11-8-16)18-4-2-1-3-17(18)14-24-20/h1-6,13,22-23H,7-12,14H2
InChIKeyRKLRDEPLQABSLB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.30
Rot. Bonds2

About 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol

2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol (PubChem CID 58820419) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol.

Molecular Properties

Compound Name2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol
PubChem CID58820419
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol
SMILESOCCc1ccc2c(c1)C(=C1CCNCC1)c1ccccc1CO2
InChIInChI=1S/C21H23NO2/c23-12-9-15-5-6-20-19(13-15)21(16-7-10-22-11-8-16)18-4-2-1-3-17(18)14-24-20/h1-6,13,22-23H,7-12,14H2
InChIKeyRKLRDEPLQABSLB-UHFFFAOYSA-N
XLogP3.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol?
The IUPAC name of 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol (CID 58820419) is 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol.
What is the SMILES notation for 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol?
The canonical SMILES for 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol is OCCc1ccc2c(c1)C(=C1CCNCC1)c1ccccc1CO2.
What is the InChIKey of 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol?
The InChIKey is RKLRDEPLQABSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c23-12-9-15-5-6-20-19(13-15)21(16-7-10-22-11-8-16)18-4-2-1-3-17(18)14-24-20/h1-6,13,22-23H,7-12,14H2.
What are the key properties of 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol?
2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol has a molecular weight of 321.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol is sourced from PubChem (CID 58820419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).