ethyl 4-(4-hydroxypiperidin-1-yl)butanoate

C11H21NO3 — CID 66524329

IUPACethyl 4-(4-hydroxypiperidin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)4-3-7-12-8-5-10(13)6-9-12/h10,13H,2-9H2,1H3
InChIKeyKQNQEBZTHHCXGX-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds5

About ethyl 4-(4-hydroxypiperidin-1-yl)butanoate

ethyl 4-(4-hydroxypiperidin-1-yl)butanoate (PubChem CID 66524329) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 4-(4-hydroxypiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxypiperidin-1-yl)butanoate
PubChem CID66524329
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 4-(4-hydroxypiperidin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)4-3-7-12-8-5-10(13)6-9-12/h10,13H,2-9H2,1H3
InChIKeyKQNQEBZTHHCXGX-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
CID 57137789
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate
CID 114961425
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
5-(4-hydroxypiperidin-1-yl)pentanehydrazide
CID 63571141
1-octylpiperidin-4-ol
CID 62022103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)butanoate?
The IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)butanoate (CID 66524329) is ethyl 4-(4-hydroxypiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-hydroxypiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(4-hydroxypiperidin-1-yl)butanoate is CCOC(=O)CCCN1CCC(O)CC1.
What is the InChIKey of ethyl 4-(4-hydroxypiperidin-1-yl)butanoate?
The InChIKey is KQNQEBZTHHCXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(14)4-3-7-12-8-5-10(13)6-9-12/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 4-(4-hydroxypiperidin-1-yl)butanoate?
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxypiperidin-1-yl)butanoate is sourced from PubChem (CID 66524329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).