1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine

C14H19BrFNO — CID 170456557

IUPAC1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine
SMILESCOC1CCN(CCc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-18-12-5-8-17(9-6-12)7-4-11-2-3-14(16)13(15)10-11/h2-3,10,12H,4-9H2,1H3
InChIKeyHYGPUTYTQOFCGM-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine

1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine (PubChem CID 170456557) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine
PubChem CID170456557
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine
SMILESCOC1CCN(CCc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-18-12-5-8-17(9-6-12)7-4-11-2-3-14(16)13(15)10-11/h2-3,10,12H,4-9H2,1H3
InChIKeyHYGPUTYTQOFCGM-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine 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-[2-(3-bromo-4-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 170456570
3-[2-(3-bromo-4-fluorophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
CID 170456652
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 75433071
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
CID 54990148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine (CID 170456557) is 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine is COC1CCN(CCc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine?
The InChIKey is HYGPUTYTQOFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-18-12-5-8-17(9-6-12)7-4-11-2-3-14(16)13(15)10-11/h2-3,10,12H,4-9H2,1H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine?
1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine has a molecular weight of 316.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine is sourced from PubChem (CID 170456557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).