1-butyl-2-thiophen-2-ylpiperidine

C13H21NS — CID 102544362

IUPAC1-butyl-2-thiophen-2-ylpiperidine
SMILESCCCCN1CCCCC1c1cccs1
InChIInChI=1S/C13H21NS/c1-2-3-9-14-10-5-4-7-12(14)13-8-6-11-15-13/h6,8,11-12H,2-5,7,9-10H2,1H3
InChIKeyWYACNTGGCJTKBT-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.08
Rot. Bonds4

About 1-butyl-2-thiophen-2-ylpiperidine

1-butyl-2-thiophen-2-ylpiperidine (PubChem CID 102544362) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-butyl-2-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-butyl-2-thiophen-2-ylpiperidine
PubChem CID102544362
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-butyl-2-thiophen-2-ylpiperidine
SMILESCCCCN1CCCCC1c1cccs1
InChIInChI=1S/C13H21NS/c1-2-3-9-14-10-5-4-7-12(14)13-8-6-11-15-13/h6,8,11-12H,2-5,7,9-10H2,1H3
InChIKeyWYACNTGGCJTKBT-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylazepane
CID 46366576
1-butyl-2-phenylpiperidine
CID 10036306
1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 166193735
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
(2R)-1-[(4-propoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878166
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
(2S)-1-[(4-bromophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878093

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-thiophen-2-ylpiperidine?
The IUPAC name of 1-butyl-2-thiophen-2-ylpiperidine (CID 102544362) is 1-butyl-2-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-butyl-2-thiophen-2-ylpiperidine?
The canonical SMILES for 1-butyl-2-thiophen-2-ylpiperidine is CCCCN1CCCCC1c1cccs1.
What is the InChIKey of 1-butyl-2-thiophen-2-ylpiperidine?
The InChIKey is WYACNTGGCJTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-3-9-14-10-5-4-7-12(14)13-8-6-11-15-13/h6,8,11-12H,2-5,7,9-10H2,1H3.
What are the key properties of 1-butyl-2-thiophen-2-ylpiperidine?
1-butyl-2-thiophen-2-ylpiperidine has a molecular weight of 223.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-thiophen-2-ylpiperidine is sourced from PubChem (CID 102544362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).