(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H15BrFNO2 — CID 43421295

IUPAC(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCCC1CO
InChIInChI=1S/C13H15BrFNO2/c14-12-5-4-9(15)7-11(12)13(18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2
InChIKeyDMLUQTVXJNHWQJ-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.58
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421295) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421295
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCCC1CO
InChIInChI=1S/C13H15BrFNO2/c14-12-5-4-9(15)7-11(12)13(18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2
InChIKeyDMLUQTVXJNHWQJ-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
CID 95309748
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810
(2-bromo-5-fluorophenyl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569856
(2-bromo-5-iodophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955450
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351035
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421295) is (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc(F)ccc1Br)N1CCCCC1CO.
What is the InChIKey of (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DMLUQTVXJNHWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-12-5-4-9(15)7-11(12)13(18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2.
What are the key properties of (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 316.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).