ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate

C11H21NO3 — CID 62397603

IUPACethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)CCNCC1
InChIInChI=1S/C11H21NO3/c1-4-15-9(13)10(2,3)11(14)5-7-12-8-6-11/h12,14H,4-8H2,1-3H3
InChIKeyXZCPBQVUAKVYGO-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds3

About ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate

ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate (PubChem CID 62397603) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate
PubChem CID62397603
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)CCNCC1
InChIInChI=1S/C11H21NO3/c1-4-15-9(13)10(2,3)11(14)5-7-12-8-6-11/h12,14H,4-8H2,1-3H3
InChIKeyXZCPBQVUAKVYGO-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-tert-butyl-1-hydroxycyclohexyl)-2-methylpropanoate
CID 62396992
ethyl 2-(4-hydroxythian-4-yl)-2-methylpropanoate
CID 62397798
ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate
CID 114510592
ethyl 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypiperidin-4-yl]-2-methylpropanoate
CID 166401783
4-(1-amino-2-methylpropan-2-yl)piperidin-4-ol
CID 79136037
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
ethyl 2,2-difluoro-2-(1-hydroxycyclobutyl)acetate
CID 62396584
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate (CID 62397603) is ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1(O)CCNCC1.
What is the InChIKey of ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate?
The InChIKey is XZCPBQVUAKVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-15-9(13)10(2,3)11(14)5-7-12-8-6-11/h12,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate?
ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate is sourced from PubChem (CID 62397603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).