(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone

C14H18BrNO2 — CID 112705709

IUPAC(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C14H18BrNO2/c1-10-9-11(3-4-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyWQTLNPXEZISPLN-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds2

About (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone

(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 112705709) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID112705709
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C14H18BrNO2/c1-10-9-11(3-4-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyWQTLNPXEZISPLN-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
2-(4-methoxypiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428744
(4-bromo-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115770674

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 112705709) is (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(Br)c(C)c2)CC1.
What is the InChIKey of (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is WQTLNPXEZISPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-9-11(3-4-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 112705709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).