[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol

C11H16BrNOS — CID 30842680

IUPAC[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c12-10-4-11(15-8-10)6-13-3-1-2-9(5-13)7-14/h4,8-9,14H,1-3,5-7H2/t9-/m1/s1
InChIKeyHVHZAFVECJUGMQ-SECBINFHSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds3

About [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 30842680) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID30842680
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c12-10-4-11(15-8-10)6-13-3-1-2-9(5-13)7-14/h4,8-9,14H,1-3,5-7H2/t9-/m1/s1
InChIKeyHVHZAFVECJUGMQ-SECBINFHSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
1-[(4-bromothiophen-2-yl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64869938
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol;oxalic acid
CID 45156056
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol (CID 30842680) is [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol is OC[C@@H]1CCCN(Cc2cc(Br)cs2)C1.
What is the InChIKey of [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is HVHZAFVECJUGMQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-10-4-11(15-8-10)6-13-3-1-2-9(5-13)7-14/h4,8-9,14H,1-3,5-7H2/t9-/m1/s1.
What are the key properties of [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 290.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 30842680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).