(3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol

C10H14BrNOS — CID 24905071

IUPAC(3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)7-12-5-1-2-8(13)6-12/h3-4,8,13H,1-2,5-7H2/t8-/m1/s1
InChIKeyLNSSPVKIHXVLFF-MRVPVSSYSA-N
MW276.20 g/mol
LogP2.47
Rot. Bonds2

About (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol

(3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol (PubChem CID 24905071) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol
PubChem CID24905071
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)7-12-5-1-2-8(13)6-12/h3-4,8,13H,1-2,5-7H2/t8-/m1/s1
InChIKeyLNSSPVKIHXVLFF-MRVPVSSYSA-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 (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol (CID 24905071) is (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol is O[C@@H]1CCCN(Cc2ccc(Br)s2)C1.
What is the InChIKey of (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol?
The InChIKey is LNSSPVKIHXVLFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)7-12-5-1-2-8(13)6-12/h3-4,8,13H,1-2,5-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol?
(3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-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 (3R)-1-[(5-bromothiophen-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 24905071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).