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

C10H14BrNOS — CID 114451957

IUPAC3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol
SMILESOC1CCNCC1Cc1sccc1Br
InChIInChI=1S/C10H14BrNOS/c11-8-2-4-14-10(8)5-7-6-12-3-1-9(7)13/h2,4,7,9,12-13H,1,3,5-6H2
InChIKeyVFJZONOTIFKMJR-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.02
Rot. Bonds2

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

3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol (PubChem CID 114451957) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol
PubChem CID114451957
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol
SMILESOC1CCNCC1Cc1sccc1Br
InChIInChI=1S/C10H14BrNOS/c11-8-2-4-14-10(8)5-7-6-12-3-1-9(7)13/h2,4,7,9,12-13H,1,3,5-6H2
InChIKeyVFJZONOTIFKMJR-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

3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849
2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 55193585
3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
CID 114451747
3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-4-ol
CID 146286067
3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
CID 84645179
1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 116582373
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393768

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol (CID 114451957) is 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol is OC1CCNCC1Cc1sccc1Br.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol?
The InChIKey is VFJZONOTIFKMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-2-4-14-10(8)5-7-6-12-3-1-9(7)13/h2,4,7,9,12-13H,1,3,5-6H2.
What are the key properties of 3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol?
3-[(3-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-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114451957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).