2-bromo-4-piperidin-4-ylphenol

C11H14BrNO — CID 82623389

IUPAC2-bromo-4-piperidin-4-ylphenol
SMILESOc1ccc(C2CCNCC2)cc1Br
InChIInChI=1S/C11H14BrNO/c12-10-7-9(1-2-11(10)14)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2
InChIKeyNKOROEMHTWKDGP-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.62
Rot. Bonds1

About 2-bromo-4-piperidin-4-ylphenol

2-bromo-4-piperidin-4-ylphenol (PubChem CID 82623389) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-bromo-4-piperidin-4-ylphenol
PubChem CID82623389
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-4-piperidin-4-ylphenol
SMILESOc1ccc(C2CCNCC2)cc1Br
InChIInChI=1S/C11H14BrNO/c12-10-7-9(1-2-11(10)14)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2
InChIKeyNKOROEMHTWKDGP-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-piperidin-4-ylphenol?
The IUPAC name of 2-bromo-4-piperidin-4-ylphenol (CID 82623389) is 2-bromo-4-piperidin-4-ylphenol.
What is the SMILES notation for 2-bromo-4-piperidin-4-ylphenol?
The canonical SMILES for 2-bromo-4-piperidin-4-ylphenol is Oc1ccc(C2CCNCC2)cc1Br.
What is the InChIKey of 2-bromo-4-piperidin-4-ylphenol?
The InChIKey is NKOROEMHTWKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-7-9(1-2-11(10)14)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2.
What are the key properties of 2-bromo-4-piperidin-4-ylphenol?
2-bromo-4-piperidin-4-ylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-piperidin-4-ylphenol is sourced from PubChem (CID 82623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).