methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate

C11H21NO3 — CID 62393991

IUPACmethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
SMILESCCN1CCC(O)(C(C)C(=O)OC)CC1
InChIInChI=1S/C11H21NO3/c1-4-12-7-5-11(14,6-8-12)9(2)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyCWPSHFFKFWWCQF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate

methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate (PubChem CID 62393991) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
PubChem CID62393991
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
SMILESCCN1CCC(O)(C(C)C(=O)OC)CC1
InChIInChI=1S/C11H21NO3/c1-4-12-7-5-11(14,6-8-12)9(2)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyCWPSHFFKFWWCQF-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate?
The IUPAC name of methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate (CID 62393991) is methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate?
The canonical SMILES for methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate is CCN1CCC(O)(C(C)C(=O)OC)CC1.
What is the InChIKey of methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate?
The InChIKey is CWPSHFFKFWWCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-12-7-5-11(14,6-8-12)9(2)10(13)15-3/h9,14H,4-8H2,1-3H3.
What are the key properties of methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate?
methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate is sourced from PubChem (CID 62393991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).