1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine

C23H28Br2N2 — CID 90423876

IUPAC1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
SMILESBrc1cc(N2CCCCC2)ccc1Cc1ccc(N2CCCCC2)cc1Br
InChIInChI=1S/C23H28Br2N2/c24-22-16-20(26-11-3-1-4-12-26)9-7-18(22)15-19-8-10-21(17-23(19)25)27-13-5-2-6-14-27/h7-10,16-17H,1-6,11-15H2
InChIKeyFJIHVFHRGUGPPX-UHFFFAOYSA-N
MW492.30 g/mol
LogP6.78
Rot. Bonds4

About 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine

1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine (PubChem CID 90423876) has the molecular formula C23H28Br2N2 and a molecular weight of 492.30 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
PubChem CID90423876
Molecular FormulaC23H28Br2N2
Molecular Weight492.30 g/mol
Exact Mass490.06
IUPAC Name1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
SMILESBrc1cc(N2CCCCC2)ccc1Cc1ccc(N2CCCCC2)cc1Br
InChIInChI=1S/C23H28Br2N2/c24-22-16-20(26-11-3-1-4-12-26)9-7-18(22)15-19-8-10-21(17-23(19)25)27-13-5-2-6-14-27/h7-10,16-17H,1-6,11-15H2
InChIKeyFJIHVFHRGUGPPX-UHFFFAOYSA-N
XLogP6.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.30
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine 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-(3-bromo-4-ethylphenyl)pyrrolidine
CID 84708206
4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
[2-bromo-4-(1,1-dioxo-1,4-thiazepan-4-yl)phenyl]methanamine
CID 114083356
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 107274657
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(3-bromo-4-methylsulfonylphenyl)piperidine
CID 169336524
[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107274914
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
CID 107275009

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine?
The IUPAC name of 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine (CID 90423876) is 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine.
What is the SMILES notation for 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine?
The canonical SMILES for 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine is Brc1cc(N2CCCCC2)ccc1Cc1ccc(N2CCCCC2)cc1Br.
What is the InChIKey of 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine?
The InChIKey is FJIHVFHRGUGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Br2N2/c24-22-16-20(26-11-3-1-4-12-26)9-7-18(22)15-19-8-10-21(17-23(19)25)27-13-5-2-6-14-27/h7-10,16-17H,1-6,11-15H2.
What are the key properties of 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine?
1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine has a molecular weight of 492.30 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine is sourced from PubChem (CID 90423876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).