ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate

C13H25NO3 — CID 103898050

IUPACethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCC(C)C(O)C1
InChIInChI=1S/C13H25NO3/c1-4-6-11(13(16)17-5-2)14-8-7-10(3)12(15)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyPYRYXKCJDBZVMK-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate

ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate (PubChem CID 103898050) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
PubChem CID103898050
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCC(C)C(O)C1
InChIInChI=1S/C13H25NO3/c1-4-6-11(13(16)17-5-2)14-8-7-10(3)12(15)9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyPYRYXKCJDBZVMK-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
CID 83048968
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate (CID 103898050) is ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCC(C)C(O)C1.
What is the InChIKey of ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate?
The InChIKey is PYRYXKCJDBZVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-11(13(16)17-5-2)14-8-7-10(3)12(15)9-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate?
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate is sourced from PubChem (CID 103898050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).