2-bromo-2-piperidin-4-ylideneethanol;hydrochloride

C7H13BrClNO — CID 86227298

IUPAC2-bromo-2-piperidin-4-ylideneethanol;hydrochloride
SMILESCl.OCC(Br)=C1CCNCC1
InChIInChI=1S/C7H12BrNO.ClH/c8-7(5-10)6-1-3-9-4-2-6;/h9-10H,1-5H2;1H
InChIKeyLGONYKUBQJFRBF-UHFFFAOYSA-N
MW242.54 g/mol
LogP1.43
Rot. Bonds1

About 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride

2-bromo-2-piperidin-4-ylideneethanol;hydrochloride (PubChem CID 86227298) has the molecular formula C7H13BrClNO and a molecular weight of 242.54 g/mol. Its IUPAC name is 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride.

Molecular Properties

Compound Name2-bromo-2-piperidin-4-ylideneethanol;hydrochloride
PubChem CID86227298
Molecular FormulaC7H13BrClNO
Molecular Weight242.54 g/mol
Exact Mass240.99
IUPAC Name2-bromo-2-piperidin-4-ylideneethanol;hydrochloride
SMILESCl.OCC(Br)=C1CCNCC1
InChIInChI=1S/C7H12BrNO.ClH/c8-7(5-10)6-1-3-9-4-2-6;/h9-10H,1-5H2;1H
InChIKeyLGONYKUBQJFRBF-UHFFFAOYSA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.54
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride 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-bromo-2-piperidin-4-ylideneethanol;hydrochloride?
The IUPAC name of 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride (CID 86227298) is 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride.
What is the SMILES notation for 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride?
The canonical SMILES for 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride is Cl.OCC(Br)=C1CCNCC1.
What is the InChIKey of 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride?
The InChIKey is LGONYKUBQJFRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO.ClH/c8-7(5-10)6-1-3-9-4-2-6;/h9-10H,1-5H2;1H.
What are the key properties of 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride?
2-bromo-2-piperidin-4-ylideneethanol;hydrochloride has a molecular weight of 242.54 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-piperidin-4-ylideneethanol;hydrochloride is sourced from PubChem (CID 86227298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).