1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine

C13H18BrFN2 — CID 116936289

IUPAC1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
SMILESNC(CC1CCCCN1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c14-9-4-5-12(15)11(7-9)13(16)8-10-3-1-2-6-17-10/h4-5,7,10,13,17H,1-3,6,8,16H2
InChIKeyICENXZQNQNSSKN-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.12
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine

1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine (PubChem CID 116936289) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
PubChem CID116936289
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
SMILESNC(CC1CCCCN1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c14-9-4-5-12(15)11(7-9)13(16)8-10-3-1-2-6-17-10/h4-5,7,10,13,17H,1-3,6,8,16H2
InChIKeyICENXZQNQNSSKN-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
CID 116936244
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
CID 116936276

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine (CID 116936289) is 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine is NC(CC1CCCCN1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine?
The InChIKey is ICENXZQNQNSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c14-9-4-5-12(15)11(7-9)13(16)8-10-3-1-2-6-17-10/h4-5,7,10,13,17H,1-3,6,8,16H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine?
1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine has a molecular weight of 301.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116936289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).