[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone

C14H18BrFN2O — CID 107956136

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
SMILESNCCC1CCCCN1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H18BrFN2O/c15-12-6-3-5-11(13(12)16)14(19)18-9-2-1-4-10(18)7-8-17/h3,5-6,10H,1-2,4,7-9,17H2
InChIKeyGNGHWOAZIZONIM-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.93
Rot. Bonds3

About [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone

[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone (PubChem CID 107956136) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
PubChem CID107956136
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
SMILESNCCC1CCCCN1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H18BrFN2O/c15-12-6-3-5-11(13(12)16)14(19)18-9-2-1-4-10(18)7-8-17/h3,5-6,10H,1-2,4,7-9,17H2
InChIKeyGNGHWOAZIZONIM-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114374400
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
[2-(bromomethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 80661009
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932
[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 63755916
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956337
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone (CID 107956136) is [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone is NCCC1CCCCN1C(=O)c1cccc(Br)c1F.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is GNGHWOAZIZONIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c15-12-6-3-5-11(13(12)16)14(19)18-9-2-1-4-10(18)7-8-17/h3,5-6,10H,1-2,4,7-9,17H2.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone?
[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone has a molecular weight of 329.21 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 107956136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).