2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid

C14H21NO2S — CID 79606686

IUPAC2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
SMILESCCC(c1cccs1)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H21NO2S/c1-2-12(13-4-3-9-18-13)15-7-5-11(6-8-15)10-14(16)17/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyZAYDGNBUFBRITC-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid

2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid (PubChem CID 79606686) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
PubChem CID79606686
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
SMILESCCC(c1cccs1)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H21NO2S/c1-2-12(13-4-3-9-18-13)15-7-5-11(6-8-15)10-14(16)17/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyZAYDGNBUFBRITC-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79606463
1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
CID 4038004
2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid
CID 102660135
2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
CID 83198545
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316642
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
1-(4-ethylpiperidin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021620
3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
CID 82134042
2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
CID 78980678
N,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54976100

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid (CID 79606686) is 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid is CCC(c1cccs1)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid?
The InChIKey is ZAYDGNBUFBRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-12(13-4-3-9-18-13)15-7-5-11(6-8-15)10-14(16)17/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid?
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid has a molecular weight of 267.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).