4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid

C10H12BrNO2S — CID 66867881

IUPAC4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(Br)s2)CC1
InChIInChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)7-3-5-12(6-4-7)10(13)14/h1-2,7H,3-6H2,(H,13,14)
InChIKeyYYVLCTCZOVVTQF-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.37
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid

4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid (PubChem CID 66867881) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
PubChem CID66867881
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(Br)s2)CC1
InChIInChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)7-3-5-12(6-4-7)10(13)14/h1-2,7H,3-6H2,(H,13,14)
InChIKeyYYVLCTCZOVVTQF-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid (CID 66867881) is 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(Br)s2)CC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid?
The InChIKey is YYVLCTCZOVVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)7-3-5-12(6-4-7)10(13)14/h1-2,7H,3-6H2,(H,13,14).
What are the key properties of 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid?
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid has a molecular weight of 290.18 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66867881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).