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

C11H15BrN2O — CID 24695126

IUPAC1-(2-amino-4-bromophenyl)piperidin-4-ol
SMILESNc1cc(Br)ccc1N1CCC(O)CC1
InChIInChI=1S/C11H15BrN2O/c12-8-1-2-11(10(13)7-8)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6,13H2
InChIKeyYBESPVDOHKZMDN-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.99
Rot. Bonds1

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

1-(2-amino-4-bromophenyl)piperidin-4-ol (PubChem CID 24695126) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)piperidin-4-ol
PubChem CID24695126
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-(2-amino-4-bromophenyl)piperidin-4-ol
SMILESNc1cc(Br)ccc1N1CCC(O)CC1
InChIInChI=1S/C11H15BrN2O/c12-8-1-2-11(10(13)7-8)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6,13H2
InChIKeyYBESPVDOHKZMDN-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)piperidin-4-ol?
The IUPAC name of 1-(2-amino-4-bromophenyl)piperidin-4-ol (CID 24695126) is 1-(2-amino-4-bromophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-amino-4-bromophenyl)piperidin-4-ol is Nc1cc(Br)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)piperidin-4-ol?
The InChIKey is YBESPVDOHKZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-8-1-2-11(10(13)7-8)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6,13H2.
What are the key properties of 1-(2-amino-4-bromophenyl)piperidin-4-ol?
1-(2-amino-4-bromophenyl)piperidin-4-ol has a molecular weight of 271.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)piperidin-4-ol is sourced from PubChem (CID 24695126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).