methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate

C15H27NO5 — CID 174439333

IUPACmethyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(O)(CC(C)(C)OC(C)=O)CC1
InChIInChI=1S/C15H27NO5/c1-12(17)21-14(2,3)11-15(19)6-9-16(10-7-15)8-5-13(18)20-4/h19H,5-11H2,1-4H3
InChIKeyLXLZQYBWLGZOSU-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.11
Rot. Bonds6

About methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate

methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate (PubChem CID 174439333) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate
PubChem CID174439333
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Namemethyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(O)(CC(C)(C)OC(C)=O)CC1
InChIInChI=1S/C15H27NO5/c1-12(17)21-14(2,3)11-15(19)6-9-16(10-7-15)8-5-13(18)20-4/h19H,5-11H2,1-4H3
InChIKeyLXLZQYBWLGZOSU-UHFFFAOYSA-N
XLogP1.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate (CID 174439333) is methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate is COC(=O)CCN1CCC(O)(CC(C)(C)OC(C)=O)CC1.
What is the InChIKey of methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate?
The InChIKey is LXLZQYBWLGZOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-12(17)21-14(2,3)11-15(19)6-9-16(10-7-15)8-5-13(18)20-4/h19H,5-11H2,1-4H3.
What are the key properties of methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate?
methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate has a molecular weight of 301.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-acetyloxy-2-methylpropyl)-4-hydroxypiperidin-1-yl]propanoate is sourced from PubChem (CID 174439333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).