ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate

C12H23NO3 — CID 95346550

IUPACethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
SMILESCCC[C@H](C(=O)OCC)N1CCC(O)CC1
InChIInChI=1S/C12H23NO3/c1-3-5-11(12(15)16-4-2)13-8-6-10(14)7-9-13/h10-11,14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeySTFAFDVUZZTHOO-LLVKDONJSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds5

About ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate

ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate (PubChem CID 95346550) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
PubChem CID95346550
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
SMILESCCC[C@H](C(=O)OCC)N1CCC(O)CC1
InChIInChI=1S/C12H23NO3/c1-3-5-11(12(15)16-4-2)13-8-6-10(14)7-9-13/h10-11,14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeySTFAFDVUZZTHOO-LLVKDONJSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
ethyl 2-(4-methylsulfonylpiperazin-1-yl)pentanoate
CID 78964963
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 64660664

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate?
The IUPAC name of ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate (CID 95346550) is ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate.
What is the SMILES notation for ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate?
The canonical SMILES for ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate is CCC[C@H](C(=O)OCC)N1CCC(O)CC1.
What is the InChIKey of ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate?
The InChIKey is STFAFDVUZZTHOO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-11(12(15)16-4-2)13-8-6-10(14)7-9-13/h10-11,14H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate?
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate is sourced from PubChem (CID 95346550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).