3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol

C10H14BrNOS — CID 65145943

IUPAC3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol
SMILESOC1(Cc2cc(Br)cs2)CCCNC1
InChIInChI=1S/C10H14BrNOS/c11-8-4-9(14-6-8)5-10(13)2-1-3-12-7-10/h4,6,12-13H,1-3,5,7H2
InChIKeyCZWIIYCYGHYOCA-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.17
Rot. Bonds2

About 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol

3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol (PubChem CID 65145943) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol
PubChem CID65145943
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol
SMILESOC1(Cc2cc(Br)cs2)CCCNC1
InChIInChI=1S/C10H14BrNOS/c11-8-4-9(14-6-8)5-10(13)2-1-3-12-7-10/h4,6,12-13H,1-3,5,7H2
InChIKeyCZWIIYCYGHYOCA-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol (CID 65145943) is 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol is OC1(Cc2cc(Br)cs2)CCCNC1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
The InChIKey is CZWIIYCYGHYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-4-9(14-6-8)5-10(13)2-1-3-12-7-10/h4,6,12-13H,1-3,5,7H2.
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol has a molecular weight of 276.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 65145943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).