(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone

C15H20BrNO3 — CID 103524264

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCNCC2)c(OC)c1Br
InChIInChI=1S/C15H20BrNO3/c1-15(6-8-17-9-7-15)14(18)10-4-5-11(19-2)12(16)13(10)20-3/h4-5,17H,6-9H2,1-3H3
InChIKeyYFVHESUQVSJMSS-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.04
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone

(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 103524264) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone
PubChem CID103524264
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCNCC2)c(OC)c1Br
InChIInChI=1S/C15H20BrNO3/c1-15(6-8-17-9-7-15)14(18)10-4-5-11(19-2)12(16)13(10)20-3/h4-5,17H,6-9H2,1-3H3
InChIKeyYFVHESUQVSJMSS-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
CID 106826594
1-(3-bromo-2,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-1-one
CID 103524254
(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
CID 106826561
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
(3-bromo-2,4-dimethoxyphenyl)-thiomorpholin-3-ylmethanone
CID 103524357
1-(3-bromo-2,4-dimethoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 103524247
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422597
(3-bromo-2,4-dimethoxyphenyl)-(2H-triazol-4-yl)methanone
CID 103523100

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone (CID 103524264) is (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone is COc1ccc(C(=O)C2(C)CCNCC2)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is YFVHESUQVSJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-15(6-8-17-9-7-15)14(18)10-4-5-11(19-2)12(16)13(10)20-3/h4-5,17H,6-9H2,1-3H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 342.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 103524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).