1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine

C12H16BrFN2 — CID 60861637

IUPAC1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(F)cc2Br)CC1
InChIInChI=1S/C12H16BrFN2/c1-15-10-4-6-16(7-5-10)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7H2,1H3
InChIKeyNLWWSGCUHLKJMQ-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine

1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine (PubChem CID 60861637) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
PubChem CID60861637
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(F)cc2Br)CC1
InChIInChI=1S/C12H16BrFN2/c1-15-10-4-6-16(7-5-10)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7H2,1H3
InChIKeyNLWWSGCUHLKJMQ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
CID 81280758
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
CID 79766663
1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924308
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
(2-bromo-4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413824

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine (CID 60861637) is 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine?
The InChIKey is NLWWSGCUHLKJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-15-10-4-6-16(7-5-10)12-3-2-9(14)8-11(12)13/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine?
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine has a molecular weight of 287.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 60861637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).