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

C15H20BrNO2 — CID 113339182

IUPAC(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(C)c2Br)C1
InChIInChI=1S/C15H20BrNO2/c1-11-5-3-7-13(14(11)16)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyQKAXMYWVXOYRCN-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.26
Rot. Bonds3

About (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 113339182) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID113339182
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(C)c2Br)C1
InChIInChI=1S/C15H20BrNO2/c1-11-5-3-7-13(14(11)16)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyQKAXMYWVXOYRCN-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

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Related Compounds

(2-bromo-3-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 107983905
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(3-bromo-2-methylphenyl)-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 97054377
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
(2-bromo-3-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 107982633
(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 124752994
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 113339182) is (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cccc(C)c2Br)C1.
What is the InChIKey of (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is QKAXMYWVXOYRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-5-3-7-13(14(11)16)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(2-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 (2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113339182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).