4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium

C17H17BrClFN+ — CID 58302949

IUPAC4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
SMILESFc1cc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)ccc1Cl
InChIInChI=1S/C17H16BrClFN/c18-14-4-1-12(2-5-14)17(7-9-21-10-8-17)13-3-6-15(19)16(20)11-13/h1-6,11,21H,7-10H2/p+1
InChIKeyICQAVBRCVDCOAY-UHFFFAOYSA-O
MW369.69 g/mol
LogP3.88
Rot. Bonds2

About 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium

4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium (PubChem CID 58302949) has the molecular formula C17H17BrClFN+ and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
PubChem CID58302949
Molecular FormulaC17H17BrClFN+
Molecular Weight369.69 g/mol
Exact Mass368.02
IUPAC Name4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
SMILESFc1cc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)ccc1Cl
InChIInChI=1S/C17H16BrClFN/c18-14-4-1-12(2-5-14)17(7-9-21-10-8-17)13-3-6-15(19)16(20)11-13/h1-6,11,21H,7-10H2/p+1
InChIKeyICQAVBRCVDCOAY-UHFFFAOYSA-O
XLogP3.88
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium 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

1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
4-Bromo-4-(4-chlorophenyl)piperidin-1-ium bromide
CID 3019917
4-[(4-Bromophenyl)-(4-fluorophenyl)methylidene]piperidine
CID 23326068
4-Bromo-4-(4-chlorophenyl)piperidinium bromide
CID 44145985
4-(4-Bromo-phenyl)-4-(4-chloro-3-fluoro-phenyl)-piperidine
CID 58302950
4-[[2-(4-Chlorophenyl)phenyl]methyl]-4-fluoropiperidine
CID 67126512
4-(4-Bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine
CID 89349086
(2S)-2-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 91389804
4-(4-Chlorophenyl)-4-(4-fluorophenyl)piperidine
CID 143374116
4-[2-[4-[(4-Bromo-2-chlorophenyl)-difluoromethyl]phenyl]ethyl]piperidine
CID 171082044
3-(3-Bromo-4-chloro-2-fluorophenyl)-3-phenylazetidine
CID 178596251

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium?
The IUPAC name of 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium (CID 58302949) is 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium.
What is the SMILES notation for 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium?
The canonical SMILES for 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium is Fc1cc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)ccc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium?
The InChIKey is ICQAVBRCVDCOAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16BrClFN/c18-14-4-1-12(2-5-14)17(7-9-21-10-8-17)13-3-6-15(19)16(20)11-13/h1-6,11,21H,7-10H2/p+1.
What are the key properties of 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium?
4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium has a molecular weight of 369.69 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium is sourced from PubChem (CID 58302949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).