(3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol

C10H14BrNOS — CID 751087

IUPAC(3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C10H14BrNOS/c11-8-4-10(14-7-8)6-12-3-1-2-9(13)5-12/h4,7,9,13H,1-3,5-6H2/t9-/m0/s1
InChIKeyBNRKCYBLYMEXOX-VIFPVBQESA-N
MW276.20 g/mol
LogP2.47
Rot. Bonds2

About (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol

(3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol (PubChem CID 751087) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol
PubChem CID751087
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C10H14BrNOS/c11-8-4-10(14-7-8)6-12-3-1-2-9(13)5-12/h4,7,9,13H,1-3,5-6H2/t9-/m0/s1
InChIKeyBNRKCYBLYMEXOX-VIFPVBQESA-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 (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol (CID 751087) is (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2cc(Br)cs2)C1.
What is the InChIKey of (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
The InChIKey is BNRKCYBLYMEXOX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-4-10(14-7-8)6-12-3-1-2-9(13)5-12/h4,7,9,13H,1-3,5-6H2/t9-/m0/s1.
What are the key properties of (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol?
(3S)-1-[(4-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 (3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 751087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).