[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol

C22H28FNO3 — CID 157172947

IUPAC[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol
SMILESCOc1c(CO)cccc1COC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FNO3/c1-26-22-18(15-25)3-2-4-19(22)16-27-21-10-13-24(14-11-21)12-9-17-5-7-20(23)8-6-17/h2-8,21,25H,9-16H2,1H3
InChIKeyPRHWKGYQXXDJTP-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.55
Rot. Bonds8

About [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol

[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol (PubChem CID 157172947) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol
PubChem CID157172947
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol
SMILESCOc1c(CO)cccc1COC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FNO3/c1-26-22-18(15-25)3-2-4-19(22)16-27-21-10-13-24(14-11-21)12-9-17-5-7-20(23)8-6-17/h2-8,21,25H,9-16H2,1H3
InChIKeyPRHWKGYQXXDJTP-UHFFFAOYSA-N
XLogP3.55
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)-2-methoxyphenyl]-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 164724761
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
[3-(2-(18F)fluoroethoxy)-2-methoxyphenyl]-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
CID 42629841
[(S)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl] butanoate
CID 11080742
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole
CID 22038366
[3-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-2-methoxyphenoxy] hydrogen sulfite
CID 21305587
1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
CID 141037033
2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-6-methoxybenzaldehyde
CID 59915472
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol?
The IUPAC name of [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol (CID 157172947) is [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol is COc1c(CO)cccc1COC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol?
The InChIKey is PRHWKGYQXXDJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-26-22-18(15-25)3-2-4-19(22)16-27-21-10-13-24(14-11-21)12-9-17-5-7-20(23)8-6-17/h2-8,21,25H,9-16H2,1H3.
What are the key properties of [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol?
[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol has a molecular weight of 373.47 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 157172947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).