4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol

C13H20BrNOS — CID 65146378

IUPAC4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrNOS/c1-10(2)15-7-5-13(16,6-8-15)9-11-3-4-12(14)17-11/h3-4,10,16H,5-9H2,1-2H3
InChIKeyIANKUMOXMXDFFY-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.29
Rot. Bonds3

About 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol

4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 65146378) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
PubChem CID65146378
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrNOS/c1-10(2)15-7-5-13(16,6-8-15)9-11-3-4-12(14)17-11/h3-4,10,16H,5-9H2,1-2H3
InChIKeyIANKUMOXMXDFFY-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol (CID 65146378) is 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is IANKUMOXMXDFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-10(2)15-7-5-13(16,6-8-15)9-11-3-4-12(14)17-11/h3-4,10,16H,5-9H2,1-2H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 318.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 65146378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).