piperidin-4-yl 2-methoxyacetate

C8H15NO3 — CID 53410127

IUPACpiperidin-4-yl 2-methoxyacetate
SMILESCOCC(=O)OC1CCNCC1
InChIInChI=1S/C8H15NO3/c1-11-6-8(10)12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3
InChIKeyPOSPEHGMJOISTG-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About piperidin-4-yl 2-methoxyacetate

piperidin-4-yl 2-methoxyacetate (PubChem CID 53410127) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is piperidin-4-yl 2-methoxyacetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-methoxyacetate
PubChem CID53410127
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepiperidin-4-yl 2-methoxyacetate
SMILESCOCC(=O)OC1CCNCC1
InChIInChI=1S/C8H15NO3/c1-11-6-8(10)12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3
InChIKeyPOSPEHGMJOISTG-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-4-yl pentanoate
CID 45091374
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
dipiperidin-4-yl carbonate
CID 129132812
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
ethane;piperidin-4-yl acetate
CID 144574283
[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate
CID 123199733
pyrrolidin-3-yl propanoate
CID 53409832
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
piperidin-4-yl 2-methylbutanoate
CID 18987401
methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-methoxyacetate?
The IUPAC name of piperidin-4-yl 2-methoxyacetate (CID 53410127) is piperidin-4-yl 2-methoxyacetate.
What is the SMILES notation for piperidin-4-yl 2-methoxyacetate?
The canonical SMILES for piperidin-4-yl 2-methoxyacetate is COCC(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl 2-methoxyacetate?
The InChIKey is POSPEHGMJOISTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-6-8(10)12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3.
What are the key properties of piperidin-4-yl 2-methoxyacetate?
piperidin-4-yl 2-methoxyacetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-methoxyacetate is sourced from PubChem (CID 53410127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).