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

C21H25F2NO2 — CID 45188911

IUPAC[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(CN2CCCC(CO)(Cc3ccccc3F)C2)c(F)c1
InChIInChI=1S/C21H25F2NO2/c1-26-18-8-7-17(20(23)11-18)13-24-10-4-9-21(14-24,15-25)12-16-5-2-3-6-19(16)22/h2-3,5-8,11,25H,4,9-10,12-15H2,1H3
InChIKeyFBJGFINYPNRTED-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.79
Rot. Bonds6

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

[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45188911) has the molecular formula C21H25F2NO2 and a molecular weight of 361.43 g/mol. Its IUPAC name is [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID45188911
Molecular FormulaC21H25F2NO2
Molecular Weight361.43 g/mol
Exact Mass361.19
IUPAC Name[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(CN2CCCC(CO)(Cc3ccccc3F)C2)c(F)c1
InChIInChI=1S/C21H25F2NO2/c1-26-18-8-7-17(20(23)11-18)13-24-10-4-9-21(14-24,15-25)12-16-5-2-3-6-19(16)22/h2-3,5-8,11,25H,4,9-10,12-15H2,1H3
InChIKeyFBJGFINYPNRTED-UHFFFAOYSA-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

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Related Compounds

Methoxydine
CID 15100753
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
1-[[4-[3-(1-Piperidinyl)propoxy]phenyl]methyl]-4-piperidinol
CID 10131681
2-[1-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 10269924
(S)-3-((S)-1-(4-(difluoromethoxy)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 58109725
1-[(4-Phenylmethoxyphenyl)methyl]piperidin-4-ol
CID 3574233
2-{1-(4-ethoxybenzyl)-4-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-2-piperazinyl}ethanol
CID 16188705
1-(4-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 1530021
1'-(4-(2-fluoroethoxy)benzyl)-3H-spiro[isobenzofuran-1,4'-piperidine]
CID 71655456
4-Benzyl-1-(4-ethoxybenzyl)piperidine
CID 1377120
1-[4-(Benzyloxy)benzyl]-3-methylpiperidine
CID 2846132
1-[(4-Butoxyphenyl)methyl]piperidin-4-ol
CID 2055522

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 45188911) is [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is COc1ccc(CN2CCCC(CO)(Cc3ccccc3F)C2)c(F)c1.
What is the InChIKey of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is FBJGFINYPNRTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO2/c1-26-18-8-7-17(20(23)11-18)13-24-10-4-9-21(14-24,15-25)12-16-5-2-3-6-19(16)22/h2-3,5-8,11,25H,4,9-10,12-15H2,1H3.
What are the key properties of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-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 [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45188911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).