4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol

C10H14BrNOS — CID 79595153

IUPAC4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cscc2Br)CC1
InChIInChI=1S/C10H14BrNOS/c1-12-4-2-10(13,3-5-12)8-6-14-7-9(8)11/h6-7,13H,2-5H2,1H3
InChIKeyWUJKCERKJKDXMR-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.42
Rot. Bonds1

About 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol

4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol (PubChem CID 79595153) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol
PubChem CID79595153
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cscc2Br)CC1
InChIInChI=1S/C10H14BrNOS/c1-12-4-2-10(13,3-5-12)8-6-14-7-9(8)11/h6-7,13H,2-5H2,1H3
InChIKeyWUJKCERKJKDXMR-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65100013
CID 79595054
CID 79595054
CID 79595055
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CID 79595166
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CID 79595194
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CID 79595264
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CID 79595265
CID 79595265

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol (CID 79595153) is 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2cscc2Br)CC1.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol?
The InChIKey is WUJKCERKJKDXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12-4-2-10(13,3-5-12)8-6-14-7-9(8)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol?
4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol has a molecular weight of 276.20 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 79595153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).