4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol

C11H12BrClFNO — CID 23149865

IUPAC4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2cc(Br)cc(Cl)c2F)CCNCC1
InChIInChI=1S/C11H12BrClFNO/c12-7-5-8(10(14)9(13)6-7)11(16)1-3-15-4-2-11/h5-6,15-16H,1-4H2
InChIKeyGNARRCRBXQMCMS-UHFFFAOYSA-N
MW308.58 g/mol
LogP2.81
Rot. Bonds1

About 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol

4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol (PubChem CID 23149865) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
PubChem CID23149865
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2cc(Br)cc(Cl)c2F)CCNCC1
InChIInChI=1S/C11H12BrClFNO/c12-7-5-8(10(14)9(13)6-7)11(16)1-3-15-4-2-11/h5-6,15-16H,1-4H2
InChIKeyGNARRCRBXQMCMS-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol (CID 23149865) is 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol is OC1(c2cc(Br)cc(Cl)c2F)CCNCC1.
What is the InChIKey of 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
The InChIKey is GNARRCRBXQMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c12-7-5-8(10(14)9(13)6-7)11(16)1-3-15-4-2-11/h5-6,15-16H,1-4H2.
What are the key properties of 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol has a molecular weight of 308.58 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 23149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).