(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

C14H17BrClNO — CID 113329918

IUPAC(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClNO/c1-9-4-3-5-10(2)17(9)14(18)11-6-7-13(16)12(15)8-11/h6-10H,3-5H2,1-2H3
InChIKeyNZDNKXGIXZQGPQ-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.51
Rot. Bonds1

About (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 113329918) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID113329918
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClNO/c1-9-4-3-5-10(2)17(9)14(18)11-6-7-13(16)12(15)8-11/h6-10H,3-5H2,1-2H3
InChIKeyNZDNKXGIXZQGPQ-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(4-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6941661
(3-bromo-4-chlorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 107993582
(2-bromo-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755682
7-(3-bromo-4-chlorobenzoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 107997952
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
(3-bromo-4-chlorophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103842020
(3-bromo-4-chlorophenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 107999426
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 113329918) is (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is NZDNKXGIXZQGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-9-4-3-5-10(2)17(9)14(18)11-6-7-13(16)12(15)8-11/h6-10H,3-5H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 330.65 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 113329918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).