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

C11H16BrNOS — CID 60966891

IUPAC[1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c12-11-5-9(8-15-11)6-13-4-2-1-3-10(13)7-14/h5,8,10,14H,1-4,6-7H2
InChIKeyOKKBAYXVDFZTHK-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.86
Rot. Bonds3

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

[1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol (PubChem CID 60966891) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol
PubChem CID60966891
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name[1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c12-11-5-9(8-15-11)6-13-4-2-1-3-10(13)7-14/h5,8,10,14H,1-4,6-7H2
InChIKeyOKKBAYXVDFZTHK-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol
CID 767825
[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]methanol
CID 767830
[1-(Thiophen-3-ylmethyl)piperidin-2-yl]methanol
CID 23791949
(5-Bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421060
4-[(5-Bromothiophen-3-yl)methylamino]cyclohexan-1-ol
CID 43432018
1-[(5-Bromothiophen-3-yl)methyl]piperidine-2-carboxylic acid
CID 43441269
2-[1-(Thiophen-3-ylmethyl)piperidin-2-yl]ethanol
CID 45927336
2-[(5-Bromothiophen-3-yl)methyl-(cyclopropylmethyl)amino]ethanol
CID 48439404
2-(4-((5-Bromothiophen-3-yl)methyl)piperazin-1-yl)ethan-1-ol
CID 51079530
1-[(5-Bromothiophen-3-yl)methyl]piperidin-3-ol
CID 51081601
1-[(5-Bromothiophen-3-yl)methyl]piperidin-4-ol
CID 51081606
[1-[(5-Bromothiophen-3-yl)methyl]piperidin-4-yl]methanol
CID 53509110

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol (CID 60966891) is [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1csc(Br)c1.
What is the InChIKey of [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is OKKBAYXVDFZTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-5-9(8-15-11)6-13-4-2-1-3-10(13)7-14/h5,8,10,14H,1-4,6-7H2.
What are the key properties of [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol?
[1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 290.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromothiophen-3-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60966891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).