3-piperidin-1-ylphenalen-1-one

C18H17NO — CID 21177336

IUPAC3-piperidin-1-ylphenalen-1-one
SMILESO=C1C=C(N2CCCCC2)c2cccc3cccc1c23
InChIInChI=1S/C18H17NO/c20-17-12-16(19-10-2-1-3-11-19)14-8-4-6-13-7-5-9-15(17)18(13)14/h4-9,12H,1-3,10-11H2
InChIKeyXLDCHPNXZVVJIQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds1

About 3-piperidin-1-ylphenalen-1-one

3-piperidin-1-ylphenalen-1-one (PubChem CID 21177336) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-piperidin-1-ylphenalen-1-one.

Molecular Properties

Compound Name3-piperidin-1-ylphenalen-1-one
PubChem CID21177336
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-piperidin-1-ylphenalen-1-one
SMILESO=C1C=C(N2CCCCC2)c2cccc3cccc1c23
InChIInChI=1S/C18H17NO/c20-17-12-16(19-10-2-1-3-11-19)14-8-4-6-13-7-5-9-15(17)18(13)14/h4-9,12H,1-3,10-11H2
InChIKeyXLDCHPNXZVVJIQ-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylphenalen-1-one?
The IUPAC name of 3-piperidin-1-ylphenalen-1-one (CID 21177336) is 3-piperidin-1-ylphenalen-1-one.
What is the SMILES notation for 3-piperidin-1-ylphenalen-1-one?
The canonical SMILES for 3-piperidin-1-ylphenalen-1-one is O=C1C=C(N2CCCCC2)c2cccc3cccc1c23.
What is the InChIKey of 3-piperidin-1-ylphenalen-1-one?
The InChIKey is XLDCHPNXZVVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-17-12-16(19-10-2-1-3-11-19)14-8-4-6-13-7-5-9-15(17)18(13)14/h4-9,12H,1-3,10-11H2.
What are the key properties of 3-piperidin-1-ylphenalen-1-one?
3-piperidin-1-ylphenalen-1-one has a molecular weight of 263.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylphenalen-1-one is sourced from PubChem (CID 21177336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).