4-(4-bromophenyl)piperidin-1-ium-4-ol

C11H15BrNO+ — CID 6931225

IUPAC4-(4-bromophenyl)piperidin-1-ium-4-ol
SMILESOC1(c2ccc(Br)cc2)CC[NH2+]CC1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2/p+1
InChIKeyQNLXJYQUWCNYBH-UHFFFAOYSA-O
MW257.15 g/mol
LogP0.99
Rot. Bonds1

About 4-(4-bromophenyl)piperidin-1-ium-4-ol

4-(4-bromophenyl)piperidin-1-ium-4-ol (PubChem CID 6931225) has the molecular formula C11H15BrNO+ and a molecular weight of 257.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)piperidin-1-ium-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)piperidin-1-ium-4-ol
PubChem CID6931225
Molecular FormulaC11H15BrNO+
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name4-(4-bromophenyl)piperidin-1-ium-4-ol
SMILESOC1(c2ccc(Br)cc2)CC[NH2+]CC1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2/p+1
InChIKeyQNLXJYQUWCNYBH-UHFFFAOYSA-O
XLogP0.99
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)piperidin-1-ium-4-ol?
The IUPAC name of 4-(4-bromophenyl)piperidin-1-ium-4-ol (CID 6931225) is 4-(4-bromophenyl)piperidin-1-ium-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)piperidin-1-ium-4-ol?
The canonical SMILES for 4-(4-bromophenyl)piperidin-1-ium-4-ol is OC1(c2ccc(Br)cc2)CC[NH2+]CC1.
What is the InChIKey of 4-(4-bromophenyl)piperidin-1-ium-4-ol?
The InChIKey is QNLXJYQUWCNYBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2/p+1.
What are the key properties of 4-(4-bromophenyl)piperidin-1-ium-4-ol?
4-(4-bromophenyl)piperidin-1-ium-4-ol has a molecular weight of 257.15 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)piperidin-1-ium-4-ol is sourced from PubChem (CID 6931225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).