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

C15H20Br2N2O — CID 114374414

IUPAC(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H20Br2N2O/c1-18-8-7-12-4-2-3-9-19(12)15(20)13-10-11(16)5-6-14(13)17/h5-6,10,12,18H,2-4,7-9H2,1H3
InChIKeyLOWPDIGZRWFQPH-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.82
Rot. Bonds4

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

(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 114374414) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
PubChem CID114374414
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H20Br2N2O/c1-18-8-7-12-4-2-3-9-19(12)15(20)13-10-11(16)5-6-14(13)17/h5-6,10,12,18H,2-4,7-9H2,1H3
InChIKeyLOWPDIGZRWFQPH-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114374400
(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
(2-bromo-5-fluorophenyl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569856
[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057
1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 55168737
(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 117044959
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone (CID 114374414) is (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone is CNCCC1CCCCN1C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is LOWPDIGZRWFQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-18-8-7-12-4-2-3-9-19(12)15(20)13-10-11(16)5-6-14(13)17/h5-6,10,12,18H,2-4,7-9H2,1H3.
What are the key properties of (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 404.15 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 114374414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).