2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol

C20H24BrNO2 — CID 90861871

IUPAC2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol
SMILESCC(CO)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H24BrNO2/c1-20(15-23,22-13-3-2-4-14-22)16-5-9-18(10-6-16)24-19-11-7-17(21)8-12-19/h5-12,23H,2-4,13-15H2,1H3
InChIKeyNQCUVABVTMDPSW-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.93
Rot. Bonds5

About 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol

2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol (PubChem CID 90861871) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol
PubChem CID90861871
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol
SMILESCC(CO)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H24BrNO2/c1-20(15-23,22-13-3-2-4-14-22)16-5-9-18(10-6-16)24-19-11-7-17(21)8-12-19/h5-12,23H,2-4,13-15H2,1H3
InChIKeyNQCUVABVTMDPSW-UHFFFAOYSA-N
XLogP4.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-Bromophenoxy)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 1846388
(E)-5-(4-bromophenyl)-5-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-4-phenylpent-4-en-1-ol
CID 132941099
4-[(4-Methoxyphenyl)-diphenylmethyl]morpholine
CID 70697309
(4R)-6-[(4-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 166629253
(4R)-6-[(3-bromophenyl)methoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 166630375
US10934303, Example 16
CID 138493013
6-bromo-4'-[(4-methoxyphenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]
CID 25139904
1-[1-(4-Butoxyphenyl)cyclohexyl]piperidine
CID 54582963
4-[1-(4-Methoxyphenyl)cyclohexyl]morpholine
CID 137332210
1-(4-Benzylpiperazin-1-yl)-3-(4-bromophenoxy)propan-2-ol
CID 2927515
1-(3-Bromophenoxy)-3-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 4875211
[1-[(3-Bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methanol
CID 6456213

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol?
The IUPAC name of 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol (CID 90861871) is 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol is CC(CO)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCCCC1.
What is the InChIKey of 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol?
The InChIKey is NQCUVABVTMDPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-20(15-23,22-13-3-2-4-14-22)16-5-9-18(10-6-16)24-19-11-7-17(21)8-12-19/h5-12,23H,2-4,13-15H2,1H3.
What are the key properties of 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol?
2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol has a molecular weight of 390.32 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenoxy)phenyl]-2-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 90861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).