2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline

C15H22BrFN2 — CID 43308637

IUPAC2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline
SMILESCCN1CCCC(C(C)Nc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H22BrFN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-7-6-13(17)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyFEVPEZKKZKENFY-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline

2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline (PubChem CID 43308637) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline
PubChem CID43308637
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline
SMILESCCN1CCCC(C(C)Nc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H22BrFN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-7-6-13(17)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyFEVPEZKKZKENFY-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline (CID 43308637) is 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline is CCN1CCCC(C(C)Nc2ccc(F)cc2Br)C1.
What is the InChIKey of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline?
The InChIKey is FEVPEZKKZKENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-7-6-13(17)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline?
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline has a molecular weight of 329.26 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43308637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).