1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol

C14H22BrNOS — CID 79045309

IUPAC1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cc(Br)cs1)N1CCCCC1
InChIInChI=1S/C14H22BrNOS/c1-14(2,16-6-4-3-5-7-16)13(17)9-12-8-11(15)10-18-12/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyLISPPUIDLQKCGO-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol

1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol (PubChem CID 79045309) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
PubChem CID79045309
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cc(Br)cs1)N1CCCCC1
InChIInChI=1S/C14H22BrNOS/c1-14(2,16-6-4-3-5-7-16)13(17)9-12-8-11(15)10-18-12/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyLISPPUIDLQKCGO-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055943
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79828051
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491
3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
CID 115333323
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol (CID 79045309) is 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol is CC(C)(C(O)Cc1cc(Br)cs1)N1CCCCC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The InChIKey is LISPPUIDLQKCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-14(2,16-6-4-3-5-7-16)13(17)9-12-8-11(15)10-18-12/h8,10,13,17H,3-7,9H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol has a molecular weight of 332.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 79045309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).