4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine

C17H15BrCl2FN — CID 89349086

IUPAC4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine
SMILESFc1cc(C2(c3ccc(Br)cc3)CCN(Cl)CC2)ccc1Cl
InChIInChI=1S/C17H15BrCl2FN/c18-14-4-1-12(2-5-14)17(7-9-22(20)10-8-17)13-3-6-15(19)16(21)11-13/h1-6,11H,7-10H2
InChIKeyVXKMFWDMLLMMRZ-UHFFFAOYSA-N
MW403.12 g/mol
LogP5.78
Rot. Bonds2

About 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine

4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine (PubChem CID 89349086) has the molecular formula C17H15BrCl2FN and a molecular weight of 403.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine
PubChem CID89349086
Molecular FormulaC17H15BrCl2FN
Molecular Weight403.12 g/mol
Exact Mass400.97
IUPAC Name4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine
SMILESFc1cc(C2(c3ccc(Br)cc3)CCN(Cl)CC2)ccc1Cl
InChIInChI=1S/C17H15BrCl2FN/c18-14-4-1-12(2-5-14)17(7-9-22(20)10-8-17)13-3-6-15(19)16(21)11-13/h1-6,11H,7-10H2
InChIKeyVXKMFWDMLLMMRZ-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.12
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
CID 58302949
4-(4-Bromo-phenyl)-4-(4-chloro-3-fluoro-phenyl)-piperidine
CID 58302950
3-(3-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine
CID 79430314
4-(4-Bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine
CID 79431746
4-(5-Bromo-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433144
3-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79433314
4-(3-Bromo-4-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433369
4-(4-Bromo-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433392
3-(4-Bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine
CID 79433642
3-(4-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine
CID 79433876
3-(2-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine
CID 79438820
4-(4-Bromo-2-fluorophenyl)-3-(2-chlorophenyl)piperidine
CID 79438955

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine (CID 89349086) is 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine is Fc1cc(C2(c3ccc(Br)cc3)CCN(Cl)CC2)ccc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine?
The InChIKey is VXKMFWDMLLMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2FN/c18-14-4-1-12(2-5-14)17(7-9-22(20)10-8-17)13-3-6-15(19)16(21)11-13/h1-6,11H,7-10H2.
What are the key properties of 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine?
4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine has a molecular weight of 403.12 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine is sourced from PubChem (CID 89349086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).