4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol

C21H25BrFNO2 — CID 10454898

IUPAC4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
SMILESOC(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
InChIKeyZDUCZNBELWPNRH-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.39
Rot. Bonds6

About 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol

4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol (PubChem CID 10454898) has the molecular formula C21H25BrFNO2 and a molecular weight of 422.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
PubChem CID10454898
Molecular FormulaC21H25BrFNO2
Molecular Weight422.34 g/mol
Exact Mass421.11
IUPAC Name4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
SMILESOC(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
InChIKeyZDUCZNBELWPNRH-UHFFFAOYSA-N
XLogP4.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
3-(4-Bromophenyl)-1-(4-hydroxybutylamino)-2-phenylheptan-3-ol;hydrochloride
CID 16193814
1-(4-Bromophenyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369967
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-(4-bromo-phenyl)-propan-1-ol
CID 401922
(4-Fluoro-phenyl)-(1-phenethyl-piperidin-4-yl)-methanol
CID 10245066
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10381919
(4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanol
CID 15212884
1-(3-Bromobenzyl)-4-(4-bromophenyl)-4-piperidinol
CID 1070039
2-[4-[2-(4-bromophenyl)vinyl]-3,6-dihydro-1(2H)-pyridinyl]-1-phenylethanol hydrochloride
CID 5719919
3-(4-Bromo-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 6603534
4-(4-Bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol;methanesulfonic acid
CID 14508077

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol (CID 10454898) is 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol is OC(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
The InChIKey is ZDUCZNBELWPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2.
What are the key properties of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol has a molecular weight of 422.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol is sourced from PubChem (CID 10454898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).