[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

C21H25F2NO2 — CID 25488539

IUPAC[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(F)c(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H25F2NO2/c1-26-19-7-8-20(23)17(11-19)13-24-10-2-9-21(14-24,15-25)12-16-3-5-18(22)6-4-16/h3-8,11,25H,2,9-10,12-15H2,1H3/t21-/m1/s1
InChIKeyQZOKPRBMOIMNSR-OAQYLSRUSA-N
MW361.43 g/mol
LogP3.79
Rot. Bonds6

About [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 25488539) has the molecular formula C21H25F2NO2 and a molecular weight of 361.43 g/mol. Its IUPAC name is [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID25488539
Molecular FormulaC21H25F2NO2
Molecular Weight361.43 g/mol
Exact Mass361.19
IUPAC Name[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(F)c(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H25F2NO2/c1-26-19-7-8-20(23)17(11-19)13-24-10-2-9-21(14-24,15-25)12-16-3-5-18(22)6-4-16/h3-8,11,25H,2,9-10,12-15H2,1H3/t21-/m1/s1
InChIKeyQZOKPRBMOIMNSR-OAQYLSRUSA-N
XLogP3.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 45219253
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 45197621
4-[4-[[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 45177304
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42591966
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 25488539) is [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is COc1ccc(F)c(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is QZOKPRBMOIMNSR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25F2NO2/c1-26-19-7-8-20(23)17(11-19)13-24-10-2-9-21(14-24,15-25)12-16-3-5-18(22)6-4-16/h3-8,11,25H,2,9-10,12-15H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 361.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 25488539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).