methyl 2-piperidin-4-yloxyacetate

C8H15NO3 — CID 15343161

IUPACmethyl 2-piperidin-4-yloxyacetate
SMILESCOC(=O)COC1CCNCC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)6-12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3
InChIKeyOATHKCABRBMPLL-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-piperidin-4-yloxyacetate

methyl 2-piperidin-4-yloxyacetate (PubChem CID 15343161) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-piperidin-4-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-piperidin-4-yloxyacetate
PubChem CID15343161
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-piperidin-4-yloxyacetate
SMILESCOC(=O)COC1CCNCC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)6-12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3
InChIKeyOATHKCABRBMPLL-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-4-yloxyacetate?
The IUPAC name of methyl 2-piperidin-4-yloxyacetate (CID 15343161) is methyl 2-piperidin-4-yloxyacetate.
What is the SMILES notation for methyl 2-piperidin-4-yloxyacetate?
The canonical SMILES for methyl 2-piperidin-4-yloxyacetate is COC(=O)COC1CCNCC1.
What is the InChIKey of methyl 2-piperidin-4-yloxyacetate?
The InChIKey is OATHKCABRBMPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)6-12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 2-piperidin-4-yloxyacetate?
methyl 2-piperidin-4-yloxyacetate 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 methyl 2-piperidin-4-yloxyacetate is sourced from PubChem (CID 15343161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).