(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone

C16H22BrNO2 — CID 62084706

IUPAC(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C16H22BrNO2/c1-16(2,3)11-6-8-18(9-7-11)15(20)13-5-4-12(17)10-14(13)19/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyVEQYXHOTOWZOGM-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.05
Rot. Bonds1

About (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone

(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 62084706) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID62084706
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C16H22BrNO2/c1-16(2,3)11-6-8-18(9-7-11)15(20)13-5-4-12(17)10-14(13)19/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyVEQYXHOTOWZOGM-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(4-tert-butylpiperidin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344264
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
(4-bromo-2-hydroxyphenyl)-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509849
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62890375
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62085963
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 62084706) is (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone is CC(C)(C)C1CCN(C(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is VEQYXHOTOWZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-16(2,3)11-6-8-18(9-7-11)15(20)13-5-4-12(17)10-14(13)19/h4-5,10-11,19H,6-9H2,1-3H3.
What are the key properties of (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 340.26 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 62084706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).