[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine

C14H20BrFN2 — CID 81441629

IUPAC[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
SMILESCCN1CCCC(CN)C1c1ccc(Br)c(F)c1
InChIInChI=1S/C14H20BrFN2/c1-2-18-7-3-4-11(9-17)14(18)10-5-6-12(15)13(16)8-10/h5-6,8,11,14H,2-4,7,9,17H2,1H3
InChIKeyJMGUDGIVBVQNJT-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.32
Rot. Bonds3

About [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine

[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine (PubChem CID 81441629) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
PubChem CID81441629
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
SMILESCCN1CCCC(CN)C1c1ccc(Br)c(F)c1
InChIInChI=1S/C14H20BrFN2/c1-2-18-7-3-4-11(9-17)14(18)10-5-6-12(15)13(16)8-10/h5-6,8,11,14H,2-4,7,9,17H2,1H3
InChIKeyJMGUDGIVBVQNJT-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine (CID 81441629) is [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine is CCN1CCCC(CN)C1c1ccc(Br)c(F)c1.
What is the InChIKey of [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
The InChIKey is JMGUDGIVBVQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-18-7-3-4-11(9-17)14(18)10-5-6-12(15)13(16)8-10/h5-6,8,11,14H,2-4,7,9,17H2,1H3.
What are the key properties of [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine?
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine has a molecular weight of 315.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine is sourced from PubChem (CID 81441629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).