2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one

C22H24FNO — CID 10382446

IUPAC2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(F)cc2CCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24FNO/c23-19-7-9-21-18(14-19)6-8-20(22(21)25)17-10-12-24(13-11-17)15-16-4-2-1-3-5-16/h1-5,7,9,14,17,20H,6,8,10-13,15H2
InChIKeyPUCXFSMSFDBYFD-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.48
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one

2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10382446) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10382446
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(F)cc2CCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24FNO/c23-19-7-9-21-18(14-19)6-8-20(22(21)25)17-10-12-24(13-11-17)15-16-4-2-1-3-5-16/h1-5,7,9,14,17,20H,6,8,10-13,15H2
InChIKeyPUCXFSMSFDBYFD-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one (CID 10382446) is 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(F)cc2CCC1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PUCXFSMSFDBYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c23-19-7-9-21-18(14-19)6-8-20(22(21)25)17-10-12-24(13-11-17)15-16-4-2-1-3-5-16/h1-5,7,9,14,17,20H,6,8,10-13,15H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one?
2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 337.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-6-fluoro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10382446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).