4-(5-butan-2-ylthiophen-2-yl)piperidine

C13H21NS — CID 83839286

IUPAC4-(5-butan-2-ylthiophen-2-yl)piperidine
SMILESCCC(C)c1ccc(C2CCNCC2)s1
InChIInChI=1S/C13H21NS/c1-3-10(2)12-4-5-13(15-12)11-6-8-14-9-7-11/h4-5,10-11,14H,3,6-9H2,1-2H3
InChIKeyPHPVAELQVIIEEZ-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.73
Rot. Bonds3

About 4-(5-butan-2-ylthiophen-2-yl)piperidine

4-(5-butan-2-ylthiophen-2-yl)piperidine (PubChem CID 83839286) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 4-(5-butan-2-ylthiophen-2-yl)piperidine.

Molecular Properties

Compound Name4-(5-butan-2-ylthiophen-2-yl)piperidine
PubChem CID83839286
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name4-(5-butan-2-ylthiophen-2-yl)piperidine
SMILESCCC(C)c1ccc(C2CCNCC2)s1
InChIInChI=1S/C13H21NS/c1-3-10(2)12-4-5-13(15-12)11-6-8-14-9-7-11/h4-5,10-11,14H,3,6-9H2,1-2H3
InChIKeyPHPVAELQVIIEEZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(butan-2-yl)thiophene
CID 89217006
3-(5-propan-2-ylthiophen-2-yl)azetidine
CID 177099821
1-(5-cyclopentylthiophen-2-yl)ethanamine
CID 83831089
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
4-(5-methylthiophen-2-yl)azepane
CID 83260945
(5-butan-2-ylthiophen-2-yl)methanamine
CID 83827152
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672
5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014682
4-(3-ethylthiophen-2-yl)piperidine
CID 82399934
4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine
CID 164942311
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
N-(4-butan-2-ylphenyl)azepan-4-amine
CID 103981065

Frequently Asked Questions

What is the IUPAC name of 4-(5-butan-2-ylthiophen-2-yl)piperidine?
The IUPAC name of 4-(5-butan-2-ylthiophen-2-yl)piperidine (CID 83839286) is 4-(5-butan-2-ylthiophen-2-yl)piperidine.
What is the SMILES notation for 4-(5-butan-2-ylthiophen-2-yl)piperidine?
The canonical SMILES for 4-(5-butan-2-ylthiophen-2-yl)piperidine is CCC(C)c1ccc(C2CCNCC2)s1.
What is the InChIKey of 4-(5-butan-2-ylthiophen-2-yl)piperidine?
The InChIKey is PHPVAELQVIIEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-10(2)12-4-5-13(15-12)11-6-8-14-9-7-11/h4-5,10-11,14H,3,6-9H2,1-2H3.
What are the key properties of 4-(5-butan-2-ylthiophen-2-yl)piperidine?
4-(5-butan-2-ylthiophen-2-yl)piperidine has a molecular weight of 223.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butan-2-ylthiophen-2-yl)piperidine is sourced from PubChem (CID 83839286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).