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

C15H20BrNO2 — CID 79005801

IUPAC(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H20BrNO2/c1-10-5-4-8-17(11(10)2)15(18)13-7-6-12(16)9-14(13)19-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXHAPPQUGQHSNHJ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.72
Rot. Bonds2

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

(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 79005801) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID79005801
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H20BrNO2/c1-10-5-4-8-17(11(10)2)15(18)13-7-6-12(16)9-14(13)19-3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXHAPPQUGQHSNHJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
1-(4-bromo-2-methoxybenzoyl)pyrrolidine-2-carbonitrile
CID 115369074
(4-bromo-2-methoxyphenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 116639440
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107938402
(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 167131809

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 79005801) is (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is COc1cc(Br)ccc1C(=O)N1CCCC(C)C1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is XHAPPQUGQHSNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-5-4-8-17(11(10)2)15(18)13-7-6-12(16)9-14(13)19-3/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 326.23 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 79005801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).