[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C26H26FNO3 — CID 70424100

IUPAC[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)cc1OC
InChIInChI=1S/C26H26FNO3/c1-30-24-12-7-21(17-25(24)31-2)18-5-10-23(11-6-18)28-15-13-20(14-16-28)26(29)19-3-8-22(27)9-4-19/h3-12,17,20H,13-16H2,1-2H3
InChIKeyVDVHLQOXOFWFMZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.61
Rot. Bonds6

About [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 70424100) has the molecular formula C26H26FNO3 and a molecular weight of 419.50 g/mol. Its IUPAC name is [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID70424100
Molecular FormulaC26H26FNO3
Molecular Weight419.50 g/mol
Exact Mass419.19
IUPAC Name[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)cc1OC
InChIInChI=1S/C26H26FNO3/c1-30-24-12-7-21(17-25(24)31-2)18-5-10-23(11-6-18)28-15-13-20(14-16-28)26(29)19-3-8-22(27)9-4-19/h3-12,17,20H,13-16H2,1-2H3
InChIKeyVDVHLQOXOFWFMZ-UHFFFAOYSA-N
XLogP5.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone 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-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877
[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 173404581
(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
CID 130450896
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17095924
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257
2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 137460082
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110394232
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 70424100) is [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone is COc1ccc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)cc1OC.
What is the InChIKey of [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is VDVHLQOXOFWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO3/c1-30-24-12-7-21(17-25(24)31-2)18-5-10-23(11-6-18)28-15-13-20(14-16-28)26(29)19-3-8-22(27)9-4-19/h3-12,17,20H,13-16H2,1-2H3.
What are the key properties of [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 419.50 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 70424100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).