4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol

C11H16BrNOS — CID 114501970

IUPAC4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-8-7-13-5-4-11(8,14)6-9-2-3-10(12)15-9/h2-3,8,13-14H,4-7H2,1H3
InChIKeyQKJNKFGMTZUXPH-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.41
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol

4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114501970) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114501970
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-8-7-13-5-4-11(8,14)6-9-2-3-10(12)15-9/h2-3,8,13-14H,4-7H2,1H3
InChIKeyQKJNKFGMTZUXPH-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol (CID 114501970) is 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol is CC1CNCCC1(O)Cc1ccc(Br)s1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is QKJNKFGMTZUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8-7-13-5-4-11(8,14)6-9-2-3-10(12)15-9/h2-3,8,13-14H,4-7H2,1H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol?
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 290.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114501970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).