methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate

C14H20N2O3 — CID 52704837

IUPACmethyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate
SMILESCOC(=O)CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)10-15-12-4-2-3-5-13(12)16-8-6-11(17)7-9-16/h2-5,11,15,17H,6-10H2,1H3
InChIKeyVCLMPQWJQMMLAO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds4

About methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate

methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate (PubChem CID 52704837) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate
PubChem CID52704837
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate
SMILESCOC(=O)CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)10-15-12-4-2-3-5-13(12)16-8-6-11(17)7-9-16/h2-5,11,15,17H,6-10H2,1H3
InChIKeyVCLMPQWJQMMLAO-UHFFFAOYSA-N
XLogP1.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate?
The IUPAC name of methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate (CID 52704837) is methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate.
What is the SMILES notation for methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate?
The canonical SMILES for methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate is COC(=O)CNc1ccccc1N1CCC(O)CC1.
What is the InChIKey of methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate?
The InChIKey is VCLMPQWJQMMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-14(18)10-15-12-4-2-3-5-13(12)16-8-6-11(17)7-9-16/h2-5,11,15,17H,6-10H2,1H3.
What are the key properties of methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate?
methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate is sourced from PubChem (CID 52704837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).