2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one

C22H24FNO — CID 10149941

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(F)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24FNO/c23-22(15-19-8-4-5-9-20(19)21(22)25)14-17-10-12-24(13-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
InChIKeySWEWCIGVPFPFOD-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.44
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one

2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one (PubChem CID 10149941) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one
PubChem CID10149941
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(F)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24FNO/c23-22(15-19-8-4-5-9-20(19)21(22)25)14-17-10-12-24(13-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
InChIKeySWEWCIGVPFPFOD-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5,6-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3H-inden-1-one;hydrochloride
CID 10204115
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
5,6-diethoxy-2-fluoro-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3H-inden-1-one;hydrochloride
CID 68952193
5,6-diethoxy-2-fluoro-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3H-inden-1-one;hydrochloride
CID 68958404
2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-diethoxy-2-fluoro-3H-inden-1-one;hydrochloride
CID 68950896
6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 10617670
(2Z)-2-[2-(1-benzylpiperidin-4-yl)ethylidene]-3H-inden-1-one
CID 10177034
2,7-difluoro-5,6-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-3H-inden-1-one
CID 118301538
2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
2-[(1-benzylpiperidin-4-yl)methylidene]-3H-inden-1-one
CID 58249692
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one (CID 10149941) is 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one is O=C1c2ccccc2CC1(F)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one?
The InChIKey is SWEWCIGVPFPFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c23-22(15-19-8-4-5-9-20(19)21(22)25)14-17-10-12-24(13-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one?
2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one has a molecular weight of 337.44 g/mol, XLogP of 4.44, 4 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)methyl]-2-fluoro-3H-inden-1-one is sourced from PubChem (CID 10149941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).