(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone

C14H18BrNO2 — CID 47436089

IUPAC(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C14H18BrNO2/c1-2-10-5-7-16(8-6-10)14(18)12-4-3-11(15)9-13(12)17/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyIASUCNBQDZZEDX-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.42
Rot. Bonds2

About (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone

(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 47436089) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID47436089
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C14H18BrNO2/c1-2-10-5-7-16(8-6-10)14(18)12-4-3-11(15)9-13(12)17/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyIASUCNBQDZZEDX-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-bromopiperidin-1-yl)methanone
CID 80662371
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62890375
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 60954864
(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone (CID 47436089) is (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is IASUCNBQDZZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-10-5-7-16(8-6-10)14(18)12-4-3-11(15)9-13(12)17/h3-4,9-10,17H,2,5-8H2,1H3.
What are the key properties of (4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone?
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 3.42, 2 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-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 47436089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).