1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol

C19H21BrClNO2 — CID 11177360

IUPAC1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21BrClNO2/c20-16-5-8-19(24-13-14-3-6-17(21)7-4-14)15(10-16)11-22-9-1-2-18(23)12-22/h3-8,10,18,23H,1-2,9,11-13H2
InChIKeyFWIUHLWLODRVDP-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.64
Rot. Bonds5

About 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol

1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol (PubChem CID 11177360) has the molecular formula C19H21BrClNO2 and a molecular weight of 410.74 g/mol. Its IUPAC name is 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
PubChem CID11177360
Molecular FormulaC19H21BrClNO2
Molecular Weight410.74 g/mol
Exact Mass409.04
IUPAC Name1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21BrClNO2/c20-16-5-8-19(24-13-14-3-6-17(21)7-4-14)15(10-16)11-22-9-1-2-18(23)12-22/h3-8,10,18,23H,1-2,9,11-13H2
InChIKeyFWIUHLWLODRVDP-UHFFFAOYSA-N
XLogP4.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)morpholine
CID 11188669
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716524
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-ethoxy-piperidine
CID 11166533
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 11189082
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethyl-methanamine
CID 11210440
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-one
CID 11246827
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol
CID 11326950
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-fluoropiperidine
CID 44431944
N-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)acetamide
CID 44431949
1-(1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)piperazine
CID 44431954
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-(trifluoromethyl)piperidin-4-ol
CID 44431959
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-(aminomethyl)piperidin-4-ol
CID 44431962

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol (CID 11177360) is 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol is OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
The InChIKey is FWIUHLWLODRVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO2/c20-16-5-8-19(24-13-14-3-6-17(21)7-4-14)15(10-16)11-22-9-1-2-18(23)12-22/h3-8,10,18,23H,1-2,9,11-13H2.
What are the key properties of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol has a molecular weight of 410.74 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 11177360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).