1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine

C12H14BrClFN — CID 173262584

IUPAC1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1cc(Br)c(Cl)cc1CN1CCCCC1
InChIInChI=1S/C12H14BrClFN/c13-10-7-12(15)9(6-11(10)14)8-16-4-2-1-3-5-16/h6-7H,1-5,8H2
InChIKeyWKDGHXJQXHQCJO-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.23
Rot. Bonds2

About 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine

1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine (PubChem CID 173262584) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine
PubChem CID173262584
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1cc(Br)c(Cl)cc1CN1CCCCC1
InChIInChI=1S/C12H14BrClFN/c13-10-7-12(15)9(6-11(10)14)8-16-4-2-1-3-5-16/h6-7H,1-5,8H2
InChIKeyWKDGHXJQXHQCJO-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]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-[(4-bromo-5-chloro-2-fluorophenyl)methyl]-4-methylpiperazine
CID 173262581
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]piperazine
CID 117492577
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine (CID 173262584) is 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine is Fc1cc(Br)c(Cl)cc1CN1CCCCC1.
What is the InChIKey of 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine?
The InChIKey is WKDGHXJQXHQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c13-10-7-12(15)9(6-11(10)14)8-16-4-2-1-3-5-16/h6-7H,1-5,8H2.
What are the key properties of 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine?
1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine has a molecular weight of 306.61 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 173262584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).