1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine

C14H20BrFN2 — CID 82970842

IUPAC1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1C(C)c1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-9-7-12(17)5-6-18(9)10(2)13-4-3-11(15)8-14(13)16/h3-4,8-10,12H,5-7,17H2,1-2H3
InChIKeyQFHUAQVBSFFWKY-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.46
Rot. Bonds2

About 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine

1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine (PubChem CID 82970842) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
PubChem CID82970842
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1C(C)c1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-9-7-12(17)5-6-18(9)10(2)13-4-3-11(15)8-14(13)16/h3-4,8-10,12H,5-7,17H2,1-2H3
InChIKeyQFHUAQVBSFFWKY-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine (CID 82970842) is 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine is CC1CC(N)CCN1C(C)c1ccc(Br)cc1F.
What is the InChIKey of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine?
The InChIKey is QFHUAQVBSFFWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9-7-12(17)5-6-18(9)10(2)13-4-3-11(15)8-14(13)16/h3-4,8-10,12H,5-7,17H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine?
1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 82970842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).