1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine

C20H23F2NO2 — CID 162627048

IUPAC1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
SMILESCOc1ccc(-c2cc(CN3CCCC(OC)C3)ccc2F)cc1F
InChIInChI=1S/C20H23F2NO2/c1-24-16-4-3-9-23(13-16)12-14-5-7-18(21)17(10-14)15-6-8-20(25-2)19(22)11-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3
InChIKeyIULGSOMLJMONRH-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.25
Rot. Bonds5

About 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine

1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine (PubChem CID 162627048) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
PubChem CID162627048
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
SMILESCOc1ccc(-c2cc(CN3CCCC(OC)C3)ccc2F)cc1F
InChIInChI=1S/C20H23F2NO2/c1-24-16-4-3-9-23(13-16)12-14-5-7-18(21)17(10-14)15-6-8-20(25-2)19(22)11-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3
InChIKeyIULGSOMLJMONRH-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine 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-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
2-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzoic acid
CID 107880927
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964619
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63855146
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine?
The IUPAC name of 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine (CID 162627048) is 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine?
The canonical SMILES for 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine is COc1ccc(-c2cc(CN3CCCC(OC)C3)ccc2F)cc1F.
What is the InChIKey of 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine?
The InChIKey is IULGSOMLJMONRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-24-16-4-3-9-23(13-16)12-14-5-7-18(21)17(10-14)15-6-8-20(25-2)19(22)11-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3.
What are the key properties of 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine?
1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine has a molecular weight of 347.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine is sourced from PubChem (CID 162627048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).