1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane

C30H38BrNO2 — CID 143205004

IUPAC1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane
SMILESCC.OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C28H32BrNO2.C2H6/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24;1-2/h1-6,8-11,13-16,25,27,31-32H,7,12,17-21H2;1-2H3
InChIKeyFDEUWERZTMNRIQ-UHFFFAOYSA-N
MW524.54 g/mol
LogP6.94
Rot. Bonds8

About 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane

1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane (PubChem CID 143205004) has the molecular formula C30H38BrNO2 and a molecular weight of 524.54 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane
PubChem CID143205004
Molecular FormulaC30H38BrNO2
Molecular Weight524.54 g/mol
Exact Mass523.21
IUPAC Name1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane
SMILESCC.OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C28H32BrNO2.C2H6/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24;1-2/h1-6,8-11,13-16,25,27,31-32H,7,12,17-21H2;1-2H3
InChIKeyFDEUWERZTMNRIQ-UHFFFAOYSA-N
XLogP6.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane with MolForge

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Related Compounds

Terfenadine
CID 5405
Terfenadine, (S)-
CID 6604035
(R)-(+)-Terfenadine
CID 7048803
1-Benzhydryl-4-(4-bromophenyl)piperidin-4-ol
CID 10093682
1-Piperidinebutanol, 4-(hydroxydiphenylmethyl)-alpha-(4-(1-methylethyl)phenyl)-
CID 24018644
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-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-(4-bromo-phenyl)-propan-1-ol
CID 401920
2-(4-Benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 2767003
Hydroxyterfenadine
CID 9805485
2-[4-[2-(4-bromophenyl)vinyl]-3,6-dihydro-1(2H)-pyridinyl]-1-phenylethanol hydrochloride
CID 5719919

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane?
The IUPAC name of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane (CID 143205004) is 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane.
What is the SMILES notation for 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane?
The canonical SMILES for 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane is CC.OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane?
The InChIKey is FDEUWERZTMNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32BrNO2.C2H6/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24;1-2/h1-6,8-11,13-16,25,27,31-32H,7,12,17-21H2;1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane?
1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane has a molecular weight of 524.54 g/mol, XLogP of 6.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethane is sourced from PubChem (CID 143205004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).