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

C28H32BrNO2 — CID 19937427

IUPAC1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C28H32BrNO2/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/h1-6,8-11,13-16,25,27,31-32H,7,12,17-21H2
InChIKeyDQTSNICLSJXCCV-UHFFFAOYSA-N
MW494.47 g/mol
LogP5.91
Rot. Bonds8

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

1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 19937427) has the molecular formula C28H32BrNO2 and a molecular weight of 494.47 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID19937427
Molecular FormulaC28H32BrNO2
Molecular Weight494.47 g/mol
Exact Mass493.16
IUPAC Name1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C28H32BrNO2/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/h1-6,8-11,13-16,25,27,31-32H,7,12,17-21H2
InChIKeyDQTSNICLSJXCCV-UHFFFAOYSA-N
XLogP5.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol (CID 19937427) is 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol is 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?
The InChIKey is DQTSNICLSJXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32BrNO2/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/h1-6,8-11,13-16,25,27,31-32H,7,12,17-21H2.
What are the key properties of 1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 494.47 g/mol, XLogP of 5.91, 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 is sourced from PubChem (CID 19937427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).