2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol

C21H26BrNO — CID 23606893

IUPAC2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol
SMILESCC(O)(c1ccc(Br)cc1)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26BrNO/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3
InChIKeyAASZHWJGMGLEHY-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.93
Rot. Bonds5

About 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol

2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol (PubChem CID 23606893) has the molecular formula C21H26BrNO and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol
PubChem CID23606893
Molecular FormulaC21H26BrNO
Molecular Weight388.35 g/mol
Exact Mass387.12
IUPAC Name2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol
SMILESCC(O)(c1ccc(Br)cc1)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26BrNO/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3
InChIKeyAASZHWJGMGLEHY-UHFFFAOYSA-N
XLogP4.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
4-(4-Bromophenyl)-4-hydroxypiperidine
CID 93911
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-
CID 4945
1-Benzhydryl-4-(4-bromophenyl)piperidin-4-ol
CID 10093682
4-Phenyl-1-(3-phenylpropyl)piperidin-4-ol
CID 15723894
1-(3,3-Diphenylpropyl)-4-phenylpiperidin-4-ol
CID 44426803
alpha-Cyclohexyl-alpha-(2-(diethylamino)ethyl)benzenemethanol
CID 114547
(1-Methylpiperidin-3-yl)-diphenylmethanol
CID 4354855
1-Piperidinepropanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 71595

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol (CID 23606893) is 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol is CC(O)(c1ccc(Br)cc1)C(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol?
The InChIKey is AASZHWJGMGLEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol?
2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol has a molecular weight of 388.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 23606893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).