methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate

C14H26N2O3 — CID 58617663

IUPACmethyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate
SMILESCOC(=O)C(C1CCN(C)CC1)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O3/c1-15-7-3-11(4-8-15)13(14(18)19-2)16-9-5-12(17)6-10-16/h11-13,17H,3-10H2,1-2H3
InChIKeyDZFZZISKBGVBNX-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.33
Rot. Bonds3

About methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate

methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate (PubChem CID 58617663) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate
PubChem CID58617663
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate
SMILESCOC(=O)C(C1CCN(C)CC1)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O3/c1-15-7-3-11(4-8-15)13(14(18)19-2)16-9-5-12(17)6-10-16/h11-13,17H,3-10H2,1-2H3
InChIKeyDZFZZISKBGVBNX-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate (CID 58617663) is methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate is COC(=O)C(C1CCN(C)CC1)N1CCC(O)CC1.
What is the InChIKey of methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate?
The InChIKey is DZFZZISKBGVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-15-7-3-11(4-8-15)13(14(18)19-2)16-9-5-12(17)6-10-16/h11-13,17H,3-10H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate?
methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate has a molecular weight of 270.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxypiperidin-1-yl)-2-(1-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 58617663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).