3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol

C22H28BrNO3 — CID 110530591

IUPAC3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1
InChIInChI=1S/C22H28BrNO3/c1-3-24-11-10-20(25)18(14-24)12-17-6-9-21(22(13-17)26-2)27-15-16-4-7-19(23)8-5-16/h4-9,13,18,20,25H,3,10-12,14-15H2,1-2H3
InChIKeyWMBKQCKOJSQPIK-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.28
Rot. Bonds7

About 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol

3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol (PubChem CID 110530591) has the molecular formula C22H28BrNO3 and a molecular weight of 434.37 g/mol. Its IUPAC name is 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
PubChem CID110530591
Molecular FormulaC22H28BrNO3
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1
InChIInChI=1S/C22H28BrNO3/c1-3-24-11-10-20(25)18(14-24)12-17-6-9-21(22(13-17)26-2)27-15-16-4-7-19(23)8-5-16/h4-9,13,18,20,25H,3,10-12,14-15H2,1-2H3
InChIKeyWMBKQCKOJSQPIK-UHFFFAOYSA-N
XLogP4.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393
3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110539475
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535672
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol (CID 110530591) is 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)C(Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1.
What is the InChIKey of 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
The InChIKey is WMBKQCKOJSQPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO3/c1-3-24-11-10-20(25)18(14-24)12-17-6-9-21(22(13-17)26-2)27-15-16-4-7-19(23)8-5-16/h4-9,13,18,20,25H,3,10-12,14-15H2,1-2H3.
What are the key properties of 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol has a molecular weight of 434.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110530591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).