1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol

C12H18BrNOS — CID 103656926

IUPAC1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNOS/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3
InChIKeyORHMHDLUBJXZFZ-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 103656926) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
PubChem CID103656926
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNOS/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3
InChIKeyORHMHDLUBJXZFZ-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 48542178
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836577
1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
CID 115688536
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide
CID 49437929
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
2-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79608935
2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648359
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
1-[(5-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219165
CID 89411380
CID 89411380

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol (CID 103656926) is 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is ORHMHDLUBJXZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3.
What are the key properties of 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 304.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103656926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).