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

C11H12BrClFNO — CID 106761270

IUPAC3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCCNC1
InChIInChI=1S/C11H12BrClFNO/c12-8-3-2-7(10(14)9(8)13)11(16)4-1-5-15-6-11/h2-3,15-16H,1,4-6H2
InChIKeyHCOGXADBINYQDF-UHFFFAOYSA-N
MW308.58 g/mol
LogP2.81
Rot. Bonds1

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

3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol (PubChem CID 106761270) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol
PubChem CID106761270
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCCNC1
InChIInChI=1S/C11H12BrClFNO/c12-8-3-2-7(10(14)9(8)13)11(16)4-1-5-15-6-11/h2-3,15-16H,1,4-6H2
InChIKeyHCOGXADBINYQDF-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_2', 'substructure': 'N/A'}

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Related Compounds

4-(5-Bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
CID 23149865
(3R)-3-(3-chloro-4-fluorophenyl)piperidin-3-ol
CID 69076955
1-(3-Bromo-4-chloro-2-fluorophenyl)-2-(cyclopropylmethylamino)-1-phenylethanol
CID 178596073
1-(3-Bromo-4-chloro-2-fluorophenyl)-2-(methylamino)-1-phenylethanol
CID 178596086
(1S)-1-(3-bromo-4-chloro-2-fluorophenyl)-2-(methylamino)-1-phenylethanol
CID 178596134
(1R)-1-(3-bromo-4-chloro-2-fluorophenyl)-2-(methylamino)-1-phenylethanol
CID 178596209
3-(3-Chloro-4-fluorophenyl)piperidin-3-ol
CID 77599309
3-(5-Bromo-2-fluorophenyl)piperidin-3-ol
CID 79743505
2-(4-Bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
3-(5-Chloro-2-fluorophenyl)piperidin-3-ol
CID 84138557
1-(4-Bromo-5-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 84812500
3-(3-Bromo-2-fluorophenyl)piperidin-3-ol
CID 103840567

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol?
The IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol (CID 106761270) is 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol.
What is the SMILES notation for 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol?
The canonical SMILES for 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol is OC1(c2ccc(Br)c(Cl)c2F)CCCNC1.
What is the InChIKey of 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol?
The InChIKey is HCOGXADBINYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c12-8-3-2-7(10(14)9(8)13)11(16)4-1-5-15-6-11/h2-3,15-16H,1,4-6H2.
What are the key properties of 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol?
3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-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 3-(4-bromo-3-chloro-2-fluorophenyl)piperidin-3-ol is sourced from PubChem (CID 106761270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).