[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone

C14H18Br2N2O — CID 114374400

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
SMILESNCCC1CCCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H18Br2N2O/c15-10-4-5-13(16)12(9-10)14(19)18-8-2-1-3-11(18)6-7-17/h4-5,9,11H,1-3,6-8,17H2
InChIKeyHGWUCJVQMNOYGT-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.56
Rot. Bonds3

About [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone

[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone (PubChem CID 114374400) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
PubChem CID114374400
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
SMILESNCCC1CCCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H18Br2N2O/c15-10-4-5-13(16)12(9-10)14(19)18-8-2-1-3-11(18)6-7-17/h4-5,9,11H,1-3,6-8,17H2
InChIKeyHGWUCJVQMNOYGT-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956136
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
CID 95309748

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone (CID 114374400) is [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone is NCCC1CCCCN1C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone?
The InChIKey is HGWUCJVQMNOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c15-10-4-5-13(16)12(9-10)14(19)18-8-2-1-3-11(18)6-7-17/h4-5,9,11H,1-3,6-8,17H2.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone?
[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone has a molecular weight of 390.12 g/mol, XLogP of 3.56, 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]-(2,5-dibromophenyl)methanone is sourced from PubChem (CID 114374400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).