1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one

C22H25F2NO2 — CID 19883489

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one
SMILESCOC1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C22H25F2NO2/c1-27-22-15-25(14-12-21(22)26)13-2-3-20(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h4-11,20,22H,2-3,12-15H2,1H3
InChIKeyKTMVPEPANROFRI-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.17
Rot. Bonds7

About 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one

1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one (PubChem CID 19883489) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one
PubChem CID19883489
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one
SMILESCOC1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C22H25F2NO2/c1-27-22-15-25(14-12-21(22)26)13-2-3-20(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h4-11,20,22H,2-3,12-15H2,1H3
InChIKeyKTMVPEPANROFRI-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-Bis(4-fluorophenyl)butyl)piperidin-4-one
CID 19895458
2-({3-[2-(2,6-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914347
4-[4,4-Bis(4-fluorophenyl)butyl]morpholine
CID 53325241
2-({3-[2-(3,4-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56901329
2-({3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56909309
2-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914558
3-[2-(2,6-Difluorophenyl)ethyl]-1-(methoxyacetyl)piperidine
CID 45191172
(2S)-1-[4-(3,4-difluorophenyl)piperidin-1-yl]-2-methoxybutan-1-one
CID 125129983
1-[4,4-Bis(4-fluorophenyl)butyl]-3,4,4-trimethoxypiperidine
CID 19883480
3-(3-Fluorophenyl)-1-methyl-5-propan-2-yloxypiperidin-4-one
CID 20317048
3-(3-Fluorophenyl)-5-methoxy-1-methylpiperidin-4-one
CID 20317072
3-(3-Fluorophenyl)-1-methyl-5-propoxypiperidin-4-one
CID 20317088

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one (CID 19883489) is 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one is COC1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1=O.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one?
The InChIKey is KTMVPEPANROFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-27-22-15-25(14-12-21(22)26)13-2-3-20(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h4-11,20,22H,2-3,12-15H2,1H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one?
1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one has a molecular weight of 373.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-one is sourced from PubChem (CID 19883489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).