1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol

C13H20BrNOS — CID 79595194

IUPAC1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1cscc1Br)N1CCCCC1
InChIInChI=1S/C13H20BrNOS/c1-13(2,15-6-4-3-5-7-15)12(16)10-8-17-9-11(10)14/h8-9,12,16H,3-7H2,1-2H3
InChIKeyUMECFXNNXNKMIK-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol

1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol (PubChem CID 79595194) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol
PubChem CID79595194
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1cscc1Br)N1CCCCC1
InChIInChI=1S/C13H20BrNOS/c1-13(2,15-6-4-3-5-7-15)12(16)10-8-17-9-11(10)14/h8-9,12,16H,3-7H2,1-2H3
InChIKeyUMECFXNNXNKMIK-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol (CID 79595194) is 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol is CC(C)(C(O)c1cscc1Br)N1CCCCC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol?
The InChIKey is UMECFXNNXNKMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-13(2,15-6-4-3-5-7-15)12(16)10-8-17-9-11(10)14/h8-9,12,16H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol?
1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol has a molecular weight of 318.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 79595194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).