[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol

C20H24FNO2 — CID 136544779

IUPAC[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol
SMILESCOc1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1F
InChIInChI=1S/C20H24FNO2/c1-24-19-8-7-16(13-18(19)21)14-22-11-9-20(15-23,10-12-22)17-5-3-2-4-6-17/h2-8,13,23H,9-12,14-15H2,1H3
InChIKeyGFZMVEOGSLQVGQ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.36
Rot. Bonds5

About [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol

[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol (PubChem CID 136544779) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol
PubChem CID136544779
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol
SMILESCOc1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1F
InChIInChI=1S/C20H24FNO2/c1-24-19-8-7-16(13-18(19)21)14-22-11-9-20(15-23,10-12-22)17-5-3-2-4-6-17/h2-8,13,23H,9-12,14-15H2,1H3
InChIKeyGFZMVEOGSLQVGQ-UHFFFAOYSA-N
XLogP3.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypiperidine-4-carboxylic acid
CID 56896082
(3S,4R)-9-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164693506
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
(4S,5R)-7-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenyl-1-thia-2,7-diazaspiro[4.4]nonan-4-ol
CID 146182389
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
[(4aS,8aS)-7-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135119931
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
1-[(3-carboxy-4-methoxyphenyl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 91836844
1-[2-(benzenesulfonyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 33071081
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol?
The IUPAC name of [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol (CID 136544779) is [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol is COc1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1F.
What is the InChIKey of [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol?
The InChIKey is GFZMVEOGSLQVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-24-19-8-7-16(13-18(19)21)14-22-11-9-20(15-23,10-12-22)17-5-3-2-4-6-17/h2-8,13,23H,9-12,14-15H2,1H3.
What are the key properties of [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol?
[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol has a molecular weight of 329.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-4-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methanol is sourced from PubChem (CID 136544779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).