3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol

C10H14BrNOS — CID 114451849

IUPAC3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
SMILESOC1CCNCC1Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c11-10-2-1-8(14-10)5-7-6-12-4-3-9(7)13/h1-2,7,9,12-13H,3-6H2
InChIKeyXMAZGNBTQZRJNZ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.02
Rot. Bonds2

About 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol

3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol (PubChem CID 114451849) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
PubChem CID114451849
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
SMILESOC1CCNCC1Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c11-10-2-1-8(14-10)5-7-6-12-4-3-9(7)13/h1-2,7,9,12-13H,3-6H2
InChIKeyXMAZGNBTQZRJNZ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
3-[(5-bromothiophen-2-yl)methyl]oxan-4-ol
CID 106471228
3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451957
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
CID 114451747
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116927002
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene
CID 64515641
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol (CID 114451849) is 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol is OC1CCNCC1Cc1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol?
The InChIKey is XMAZGNBTQZRJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-10-2-1-8(14-10)5-7-6-12-4-3-9(7)13/h1-2,7,9,12-13H,3-6H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol?
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol has a molecular weight of 276.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).