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

C11H12BrClFNO — CID 106761263

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCNCC1
InChIInChI=1S/C11H12BrClFNO/c12-8-2-1-7(10(14)9(8)13)11(16)3-5-15-6-4-11/h1-2,15-16H,3-6H2
InChIKeyMCTFJTFADWFQEE-UHFFFAOYSA-N
MW308.58 g/mol
LogP2.81
Rot. Bonds1

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

4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol (PubChem CID 106761263) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
PubChem CID106761263
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCNCC1
InChIInChI=1S/C11H12BrClFNO/c12-8-2-1-7(10(14)9(8)13)11(16)3-5-15-6-4-11/h1-2,15-16H,3-6H2
InChIKeyMCTFJTFADWFQEE-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-(4-Bromophenyl)-4-hydroxypiperidine
CID 93911
4-(4-Bromophenyl)piperidin-4-ol hydrochloride
CID 18972306
4-(3-Chloro-4-fluorophenyl)piperidin-4-ol
CID 23149843
4-(5-Bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
CID 23149865
4-(3-Chloro-5-fluorophenyl)piperidin-4-ol
CID 23149895
4-(3-Chloro-2-fluorophenyl)piperidin-4-ol
CID 23149985
(3S,5R)-4-(4-bromo-2,6-difluorophenyl)-3,5-dimethylpiperidin-4-ol
CID 177780992
4-(4-Bromophenyl)piperidin-1-ium-4-ol
CID 6931225
4-(5-Bromo-2-fluorophenyl)piperidin-4-ol
CID 79743076
3-Amino-1-(4-bromo-3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81295304
3-Amino-1-(4-bromo-3-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 81295305
3-Amino-1-(4-bromo-3-chlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 81307863

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol (CID 106761263) is 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol is OC1(c2ccc(Br)c(Cl)c2F)CCNCC1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
The InChIKey is MCTFJTFADWFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c12-8-2-1-7(10(14)9(8)13)11(16)3-5-15-6-4-11/h1-2,15-16H,3-6H2.
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol?
4-(4-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-(4-bromo-3-chloro-2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 106761263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).