(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone

C13H16BrNO2 — CID 78988655

IUPAC(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C13H16BrNO2/c1-17-12-9-10(14)5-6-11(12)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyQEEWWOZZKTZBFB-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.08
Rot. Bonds2

About (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone

(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 78988655) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
PubChem CID78988655
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C13H16BrNO2/c1-17-12-9-10(14)5-6-11(12)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyQEEWWOZZKTZBFB-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
1-(4-bromo-2-methoxybenzoyl)azetidine-3-carboxylic acid
CID 115368654
2-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 115368600
(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 81344910
1-(4-bromo-2-methoxybenzoyl)-1,4-diazepan-5-one
CID 78988550
(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 4635913
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(4-bromo-2-methoxyphenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 116639440
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(2-methoxy-4-nitrophenyl)-piperidin-1-ylmethanone
CID 68540547

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone (CID 78988655) is (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone is COc1cc(Br)ccc1C(=O)N1CCCCC1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is QEEWWOZZKTZBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-12-9-10(14)5-6-11(12)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone?
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 298.18 g/mol, XLogP of 3.08, 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)-piperidin-1-ylmethanone is sourced from PubChem (CID 78988655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).