4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol

C14H18BrClFNO — CID 106761253

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(c2ccc(Br)c(Cl)c2F)CC1
InChIInChI=1S/C14H18BrClFNO/c1-9(2)18-7-5-14(19,6-8-18)10-3-4-11(15)12(16)13(10)17/h3-4,9,19H,5-8H2,1-2H3
InChIKeyVUOFSQNWOPOFHT-UHFFFAOYSA-N
MW350.66 g/mol
LogP3.93
Rot. Bonds2

About 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol

4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 106761253) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol
PubChem CID106761253
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(c2ccc(Br)c(Cl)c2F)CC1
InChIInChI=1S/C14H18BrClFNO/c1-9(2)18-7-5-14(19,6-8-18)10-3-4-11(15)12(16)13(10)17/h3-4,9,19H,5-8H2,1-2H3
InChIKeyVUOFSQNWOPOFHT-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Chloro-2-fluorophenyl)-1-ethylpiperidin-4-ol
CID 11514416
4-(3-Chloro-4-fluorophenyl)-1-propylpiperidin-4-ol
CID 11543611
4-(3-Chloro-4-fluorophenyl)-1-ethylpiperidin-4-ol
CID 11586945
4-(3-Chloro-2-fluorophenyl)-1-propylpiperidin-4-ol
CID 11630423
4-(4-Bromo-2,5-difluorophenyl)-1-methyl-4-piperidinol
CID 14770831
4-(3-Chloro-4-fluorophenyl)-4-hydroxy-1-iso-propylpiperidine
CID 49760749
4-(3-Chloro-4-fluorophenyl)-4-hydroxy-1-methylpiperidine
CID 49760750
4-(4-Bromo-3-fluorophenyl)-1-tert-butylpiperidin-4-ol
CID 132009815
4-(4-Bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 155415164
4-(3-Chloro-5-fluorophenyl)-4-hydroxy-1-iso-propylpiperidine
CID 49760752
4-(5-Bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol
CID 79742539
4-(5-Bromo-2-fluorophenyl)-1,2-dimethylpiperidin-4-ol
CID 81611560

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol (CID 106761253) is 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(c2ccc(Br)c(Cl)c2F)CC1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is VUOFSQNWOPOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-9(2)18-7-5-14(19,6-8-18)10-3-4-11(15)12(16)13(10)17/h3-4,9,19H,5-8H2,1-2H3.
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol?
4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 350.66 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 106761253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).