(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C15H20BrNO2 — CID 113339183

IUPAC(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(Br)c(C)c2)C1
InChIInChI=1S/C15H20BrNO2/c1-11-8-13(5-6-14(11)16)15(18)17-7-3-4-12(9-17)10-19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyVJLIDUSDVNNBSK-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.26
Rot. Bonds3

About (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 113339183) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID113339183
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(Br)c(C)c2)C1
InChIInChI=1S/C15H20BrNO2/c1-11-8-13(5-6-14(11)16)15(18)17-7-3-4-12(9-17)10-19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyVJLIDUSDVNNBSK-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(4-bromo-3-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115770446
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 113339183) is (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2ccc(Br)c(C)c2)C1.
What is the InChIKey of (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is VJLIDUSDVNNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-8-13(5-6-14(11)16)15(18)17-7-3-4-12(9-17)10-19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 326.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113339183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).