(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone

C15H20Br2N2O — CID 107973305

IUPAC(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C15H20Br2N2O/c1-18-5-2-11-3-6-19(7-4-11)15(20)12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3
InChIKeyJPOLWLQDSOXFKC-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.67
Rot. Bonds4

About (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone

(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 107973305) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
PubChem CID107973305
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C15H20Br2N2O/c1-18-5-2-11-3-6-19(7-4-11)15(20)12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3
InChIKeyJPOLWLQDSOXFKC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(3-bromo-4-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 81476430
(3,4-dihydroxyphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107728739
(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887574
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
(3-chloro-4-propan-2-ylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 166238479
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
(5-chloro-2-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 82884011
(4-tert-butylazepan-1-yl)-(3,5-dibromophenyl)methanone
CID 107980470
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone (CID 107973305) is (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone is CNCCC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is JPOLWLQDSOXFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-18-5-2-11-3-6-19(7-4-11)15(20)12-8-13(16)10-14(17)9-12/h8-11,18H,2-7H2,1H3.
What are the key properties of (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 404.15 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 107973305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).