(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone

C15H20BrNO2 — CID 113460719

IUPAC(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C15H20BrNO2/c1-3-19-14-4-6-17(7-5-14)15(18)12-8-11(2)9-13(16)10-12/h8-10,14H,3-7H2,1-2H3
InChIKeyKXEQVHRFMBEBHR-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.40
Rot. Bonds3

About (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone

(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 113460719) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID113460719
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C15H20BrNO2/c1-3-19-14-4-6-17(7-5-14)15(18)12-8-11(2)9-13(16)10-12/h8-10,14H,3-7H2,1-2H3
InChIKeyKXEQVHRFMBEBHR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylbenzoyl)piperidine-4-carbothioamide
CID 104851586
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
methyl 1-(3-bromo-5-methylbenzoyl)pyrrolidine-3-carboxylate
CID 104852881
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(3-bromo-5-methylphenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 104852751
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone (CID 113460719) is (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cc(C)cc(Br)c2)CC1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is KXEQVHRFMBEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-19-14-4-6-17(7-5-14)15(18)12-8-11(2)9-13(16)10-12/h8-10,14H,3-7H2,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 326.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 113460719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).