1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol

C10H14BrNOS — CID 677199

IUPAC1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C10H14BrNOS/c11-8-5-10(14-7-8)6-12-3-1-9(13)2-4-12/h5,7,9,13H,1-4,6H2
InChIKeyWYZWPNLPDGMNKX-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.47
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol

1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol (PubChem CID 677199) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol
PubChem CID677199
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C10H14BrNOS/c11-8-5-10(14-7-8)6-12-3-1-9(13)2-4-12/h5,7,9,13H,1-4,6H2
InChIKeyWYZWPNLPDGMNKX-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol (CID 677199) is 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol is OC1CCN(Cc2cc(Br)cs2)CC1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol?
The InChIKey is WYZWPNLPDGMNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-5-10(14-7-8)6-12-3-1-9(13)2-4-12/h5,7,9,13H,1-4,6H2.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol?
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol has a molecular weight of 276.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 677199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).