2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol

C13H18BrNO — CID 170224579

IUPAC2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol
SMILESOCCC1CCC[C@@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C13H18BrNO/c14-11-6-4-10(5-7-11)13-3-1-2-12(15-13)8-9-16/h4-7,12-13,15-16H,1-3,8-9H2/t12?,13-/m0/s1
InChIKeyYRQGGNIOQPUJTN-ABLWVSNPSA-N
MW284.20 g/mol
LogP3.01
Rot. Bonds3

About 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol

2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol (PubChem CID 170224579) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol
PubChem CID170224579
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol
SMILESOCCC1CCC[C@@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C13H18BrNO/c14-11-6-4-10(5-7-11)13-3-1-2-12(15-13)8-9-16/h4-7,12-13,15-16H,1-3,8-9H2/t12?,13-/m0/s1
InChIKeyYRQGGNIOQPUJTN-ABLWVSNPSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol (CID 170224579) is 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol is OCCC1CCC[C@@H](c2ccc(Br)cc2)N1.
What is the InChIKey of 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol?
The InChIKey is YRQGGNIOQPUJTN-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-11-6-4-10(5-7-11)13-3-1-2-12(15-13)8-9-16/h4-7,12-13,15-16H,1-3,8-9H2/t12?,13-/m0/s1.
What are the key properties of 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol?
2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol has a molecular weight of 284.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 170224579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).