6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

C22H23NO2 — CID 72684500

IUPAC6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=Cc2ccc(N3CCCCC3)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C22H23NO2/c24-20-10-11-21-17(15-20)6-7-18(22(21)25)14-16-4-8-19(9-5-16)23-12-2-1-3-13-23/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2
InChIKeyIAIYXXVRVMUDOS-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.59
Rot. Bonds2

About 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one

6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 72684500) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID72684500
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=Cc2ccc(N3CCCCC3)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C22H23NO2/c24-20-10-11-21-17(15-20)6-7-18(22(21)25)14-16-4-8-19(9-5-16)23-12-2-1-3-13-23/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2
InChIKeyIAIYXXVRVMUDOS-UHFFFAOYSA-N
XLogP4.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 72684500) is 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is O=C1C(=Cc2ccc(N3CCCCC3)cc2)CCc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is IAIYXXVRVMUDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-20-10-11-21-17(15-20)6-7-18(22(21)25)14-16-4-8-19(9-5-16)23-12-2-1-3-13-23/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2.
What are the key properties of 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 333.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(4-piperidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 72684500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).