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

C11H14BrNO2S — CID 43421504

IUPAC(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCCCC1CO
InChIInChI=1S/C11H14BrNO2S/c12-10-5-4-9(16-10)11(15)13-6-2-1-3-8(13)7-14/h4-5,8,14H,1-3,6-7H2
InChIKeyDOXOIJPMKKBBPM-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.50
Rot. Bonds2

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

(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421504) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421504
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCCCC1CO
InChIInChI=1S/C11H14BrNO2S/c12-10-5-4-9(16-10)11(15)13-6-2-1-3-8(13)7-14/h4-5,8,14H,1-3,6-7H2
InChIKeyDOXOIJPMKKBBPM-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-bromothiophen-2-yl)methanone
CID 60630423
(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61409173
(2,5-dibromothiophen-3-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956215
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
[2-(hydroxymethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116636360
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127431518
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(3-bromothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261291
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421504) is (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)s1)N1CCCCC1CO.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DOXOIJPMKKBBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-5-4-9(16-10)11(15)13-6-2-1-3-8(13)7-14/h4-5,8,14H,1-3,6-7H2.
What are the key properties of (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 304.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).