4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol

C10H14BrNOS — CID 114501888

IUPAC4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)c1sccc1Br
InChIInChI=1S/C10H14BrNOS/c1-7-6-12-4-3-10(7,13)9-8(11)2-5-14-9/h2,5,7,12-13H,3-4,6H2,1H3
InChIKeyCHCYSNPLYNLODE-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.33
Rot. Bonds1

About 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol

4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol (PubChem CID 114501888) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol
PubChem CID114501888
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)c1sccc1Br
InChIInChI=1S/C10H14BrNOS/c1-7-6-12-4-3-10(7,13)9-8(11)2-5-14-9/h2,5,7,12-13H,3-4,6H2,1H3
InChIKeyCHCYSNPLYNLODE-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol (CID 114501888) is 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol is CC1CNCCC1(O)c1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is CHCYSNPLYNLODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-6-12-4-3-10(7,13)9-8(11)2-5-14-9/h2,5,7,12-13H,3-4,6H2,1H3.
What are the key properties of 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol?
4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 276.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114501888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).