2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid

C12H17NO3S — CID 55252467

IUPAC2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H17NO3S/c14-12(15)9-16-10-3-5-13(6-4-10)8-11-2-1-7-17-11/h1-2,7,10H,3-6,8-9H2,(H,14,15)
InChIKeyQALMPOCTBRRPMZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid

2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid (PubChem CID 55252467) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid
PubChem CID55252467
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H17NO3S/c14-12(15)9-16-10-3-5-13(6-4-10)8-11-2-1-7-17-11/h1-2,7,10H,3-6,8-9H2,(H,14,15)
InChIKeyQALMPOCTBRRPMZ-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid
CID 164642156
1-Isopropoxy-3-[(2-methoxyethyl)(2-thienylmethyl)amino]-2-propanol
CID 24713890
2-oxo-2-[(3R)-1-(3-thiophen-2-ylpropyl)pyrrolidin-3-yl]oxyacetic acid
CID 69480232
N,N-dimethyl-1-thiophen-2-ylmethanamine;ethyl acetate
CID 159114515
[4,5-Diacetyloxy-1-(thiophen-2-ylmethyl)piperidin-3-yl] acetate
CID 167524772
N,1-dimethyl-N-(2-thienylmethyl)-4-piperidinamine oxalate
CID 2838357
4-(Thiophen-2-ylmethyl)morpholine-2-carboxylic acid
CID 16243997
1-Propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 24713142
1-[3-Methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713398
[2-Hydroxy-3-(propan-2-yloxy)propyl][2-(morpholin-4-YL)ethyl][(thiophen-2-YL)methyl]amine
CID 24714051
[2-Hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate
CID 42682200
3-[Cyclopropyl(2-thienylmethyl)amino]-2-hydroxypropyl butyrate
CID 42682360

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid (CID 55252467) is 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is QALMPOCTBRRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-12(15)9-16-10-3-5-13(6-4-10)8-11-2-1-7-17-11/h1-2,7,10H,3-6,8-9H2,(H,14,15).
What are the key properties of 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 255.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 55252467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).