1-benzyl-2-(4-bromophenyl)piperidin-4-ol

C18H20BrNO — CID 22128023

IUPAC1-benzyl-2-(4-bromophenyl)piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrNO/c19-16-8-6-15(7-9-16)18-12-17(21)10-11-20(18)13-14-4-2-1-3-5-14/h1-9,17-18,21H,10-13H2
InChIKeyXZPDXWNAGNTYHJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.15
Rot. Bonds3

About 1-benzyl-2-(4-bromophenyl)piperidin-4-ol

1-benzyl-2-(4-bromophenyl)piperidin-4-ol (PubChem CID 22128023) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-benzyl-2-(4-bromophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-2-(4-bromophenyl)piperidin-4-ol
PubChem CID22128023
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-benzyl-2-(4-bromophenyl)piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrNO/c19-16-8-6-15(7-9-16)18-12-17(21)10-11-20(18)13-14-4-2-1-3-5-14/h1-9,17-18,21H,10-13H2
InChIKeyXZPDXWNAGNTYHJ-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-(4-bromophenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-(4-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 158556619
[1-benzyl-2-(4-methoxyphenyl)piperidin-4-yl]methanol
CID 154394421
1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol
CID 18423515
2-[4-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-ol
CID 91033925
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
CID 71409526
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
CID 102539234
1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 138114242
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
CID 124835491

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-bromophenyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-2-(4-bromophenyl)piperidin-4-ol (CID 22128023) is 1-benzyl-2-(4-bromophenyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-2-(4-bromophenyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-2-(4-bromophenyl)piperidin-4-ol is OC1CCN(Cc2ccccc2)C(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-benzyl-2-(4-bromophenyl)piperidin-4-ol?
The InChIKey is XZPDXWNAGNTYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-16-8-6-15(7-9-16)18-12-17(21)10-11-20(18)13-14-4-2-1-3-5-14/h1-9,17-18,21H,10-13H2.
What are the key properties of 1-benzyl-2-(4-bromophenyl)piperidin-4-ol?
1-benzyl-2-(4-bromophenyl)piperidin-4-ol has a molecular weight of 346.27 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-bromophenyl)piperidin-4-ol is sourced from PubChem (CID 22128023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).